USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 950 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 110:sc= 0.329 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.079 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 1.2 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 29:sc= 0.653 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -7.1! C(o=-7.1!,f=-7.3!) USER MOD Single : A 32 GLN : amide:sc= -0.0606 K(o=-0.061,f=-2.2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 130:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.7!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.675 K(o=-0.68,f=-0.14) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc=-0.00608 X(o=-0.0061,f=-0.48) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0329 USER MOD Single : A 91 SER OG : rot -9:sc= 0.737 USER MOD Single : A 94 TYR OH : rot 49:sc= 1.15 USER MOD Single : A 97 SER OG : rot 178:sc= -0.572 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.919 K(o=-0.92,f=-4.5!) USER MOD Single : A 103 MET CE :methyl -173:sc= -0.232 (180deg=-0.405) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 63.992 25.543 -4.908 1.00 0.00 N ATOM 2 CA GLY A 1 63.145 25.309 -3.754 1.00 0.00 C ATOM 3 C GLY A 1 63.194 23.870 -3.280 1.00 0.00 C ATOM 4 O GLY A 1 63.881 23.038 -3.873 1.00 0.00 O ATOM 0 H1 GLY A 1 64.640 26.331 -4.709 1.00 0.00 H new ATOM 0 H2 GLY A 1 64.543 24.685 -5.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 63.401 25.780 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 1 63.454 25.966 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 62.117 25.571 -4.003 1.00 0.00 H new ATOM 8 N SER A 2 62.466 23.577 -2.208 1.00 0.00 N ATOM 9 CA SER A 2 62.434 22.229 -1.651 1.00 0.00 C ATOM 10 C SER A 2 61.276 22.074 -0.670 1.00 0.00 C ATOM 11 O SER A 2 61.042 22.940 0.173 1.00 0.00 O ATOM 12 CB SER A 2 63.757 21.913 -0.951 1.00 0.00 C ATOM 13 OG SER A 2 64.734 21.476 -1.880 1.00 0.00 O ATOM 0 H SER A 2 61.890 24.254 -1.707 1.00 0.00 H new ATOM 0 HA SER A 2 62.288 21.526 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 2 64.117 22.800 -0.430 1.00 0.00 H new ATOM 0 HB3 SER A 2 63.598 21.143 -0.196 1.00 0.00 H new ATOM 0 HG SER A 2 64.606 21.941 -2.733 1.00 0.00 H new ATOM 19 N SER A 3 60.555 20.964 -0.787 1.00 0.00 N ATOM 20 CA SER A 3 59.418 20.695 0.087 1.00 0.00 C ATOM 21 C SER A 3 58.868 19.292 -0.153 1.00 0.00 C ATOM 22 O SER A 3 59.243 18.623 -1.115 1.00 0.00 O ATOM 23 CB SER A 3 58.317 21.733 -0.141 1.00 0.00 C ATOM 24 OG SER A 3 57.606 21.467 -1.337 1.00 0.00 O ATOM 0 H SER A 3 60.737 20.236 -1.478 1.00 0.00 H new ATOM 0 HA SER A 3 59.761 20.760 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 3 57.628 21.729 0.704 1.00 0.00 H new ATOM 0 HB3 SER A 3 58.756 22.729 -0.189 1.00 0.00 H new ATOM 0 HG SER A 3 56.907 22.143 -1.459 1.00 0.00 H new ATOM 30 N GLY A 4 57.977 18.854 0.730 1.00 0.00 N ATOM 31 CA GLY A 4 57.389 17.534 0.598 1.00 0.00 C ATOM 32 C GLY A 4 56.979 16.945 1.934 1.00 0.00 C ATOM 33 O GLY A 4 57.714 17.046 2.916 1.00 0.00 O ATOM 0 H GLY A 4 57.652 19.390 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 4 56.517 17.592 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 4 58.104 16.868 0.115 1.00 0.00 H new ATOM 37 N SER A 5 55.801 16.330 1.972 1.00 0.00 N ATOM 38 CA SER A 5 55.292 15.728 3.198 1.00 0.00 C ATOM 39 C SER A 5 54.308 14.606 2.885 1.00 0.00 C ATOM 40 O SER A 5 53.241 14.841 2.316 1.00 0.00 O ATOM 41 CB SER A 5 54.615 16.788 4.068 1.00 0.00 C ATOM 42 OG SER A 5 53.515 17.375 3.394 1.00 0.00 O ATOM 0 H SER A 5 55.181 16.236 1.167 1.00 0.00 H new ATOM 0 HA SER A 5 56.136 15.305 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 54.275 16.335 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 5 55.337 17.560 4.334 1.00 0.00 H new ATOM 0 HG SER A 5 53.135 16.728 2.764 1.00 0.00 H new ATOM 48 N SER A 6 54.674 13.384 3.259 1.00 0.00 N ATOM 49 CA SER A 6 53.825 12.223 3.015 1.00 0.00 C ATOM 50 C SER A 6 54.066 11.144 4.066 1.00 0.00 C ATOM 51 O SER A 6 54.982 11.248 4.880 1.00 0.00 O ATOM 52 CB SER A 6 54.088 11.658 1.618 1.00 0.00 C ATOM 53 OG SER A 6 52.925 11.048 1.088 1.00 0.00 O ATOM 0 H SER A 6 55.552 13.172 3.732 1.00 0.00 H new ATOM 0 HA SER A 6 52.785 12.543 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 6 54.417 12.458 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 6 54.897 10.928 1.664 1.00 0.00 H new ATOM 0 HG SER A 6 53.119 10.696 0.194 1.00 0.00 H new ATOM 59 N GLY A 7 53.234 10.107 4.042 1.00 0.00 N ATOM 60 CA GLY A 7 53.371 9.023 4.997 1.00 0.00 C ATOM 61 C GLY A 7 52.263 9.018 6.032 1.00 0.00 C ATOM 62 O GLY A 7 52.373 9.664 7.075 1.00 0.00 O ATOM 0 H GLY A 7 52.467 9.998 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 53.371 8.072 4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 7 54.334 9.106 5.501 1.00 0.00 H new ATOM 66 N THR A 8 51.190 8.289 5.743 1.00 0.00 N ATOM 67 CA THR A 8 50.055 8.205 6.655 1.00 0.00 C ATOM 68 C THR A 8 49.553 6.771 6.776 1.00 0.00 C ATOM 69 O THR A 8 49.261 6.117 5.774 1.00 0.00 O ATOM 70 CB THR A 8 48.895 9.106 6.192 1.00 0.00 C ATOM 71 OG1 THR A 8 47.838 9.077 7.158 1.00 0.00 O ATOM 72 CG2 THR A 8 48.366 8.655 4.839 1.00 0.00 C ATOM 0 H THR A 8 51.083 7.748 4.885 1.00 0.00 H new ATOM 0 HA THR A 8 50.405 8.548 7.629 1.00 0.00 H new ATOM 0 HB THR A 8 49.271 10.125 6.095 1.00 0.00 H new ATOM 0 HG1 THR A 8 47.105 9.654 6.858 1.00 0.00 H new ATOM 0 HG21 THR A 8 47.547 9.306 4.533 1.00 0.00 H new ATOM 0 HG22 THR A 8 49.166 8.706 4.100 1.00 0.00 H new ATOM 0 HG23 THR A 8 48.005 7.629 4.913 1.00 0.00 H new ATOM 80 N LEU A 9 49.453 6.286 8.009 1.00 0.00 N ATOM 81 CA LEU A 9 48.985 4.928 8.262 1.00 0.00 C ATOM 82 C LEU A 9 47.488 4.915 8.556 1.00 0.00 C ATOM 83 O LEU A 9 47.035 5.483 9.549 1.00 0.00 O ATOM 84 CB LEU A 9 49.752 4.313 9.434 1.00 0.00 C ATOM 85 CG LEU A 9 51.245 4.074 9.207 1.00 0.00 C ATOM 86 CD1 LEU A 9 52.037 5.342 9.487 1.00 0.00 C ATOM 87 CD2 LEU A 9 51.741 2.930 10.079 1.00 0.00 C ATOM 0 H LEU A 9 49.690 6.813 8.849 1.00 0.00 H new ATOM 0 HA LEU A 9 49.166 4.334 7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.636 4.965 10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 9 49.286 3.361 9.687 1.00 0.00 H new ATOM 0 HG LEU A 9 51.395 3.799 8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 9 53.097 5.153 9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 9 51.701 6.136 8.820 1.00 0.00 H new ATOM 0 HD13 LEU A 9 51.881 5.647 10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 9 52.806 2.774 9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 9 51.578 3.175 11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 9 51.195 2.020 9.830 1.00 0.00 H new ATOM 99 N ALA A 10 46.725 4.260 7.686 1.00 0.00 N ATOM 100 CA ALA A 10 45.280 4.168 7.855 1.00 0.00 C ATOM 101 C ALA A 10 44.709 2.994 7.068 1.00 0.00 C ATOM 102 O ALA A 10 44.969 2.851 5.873 1.00 0.00 O ATOM 103 CB ALA A 10 44.615 5.468 7.425 1.00 0.00 C ATOM 0 H ALA A 10 47.084 3.786 6.857 1.00 0.00 H new ATOM 0 HA ALA A 10 45.072 3.998 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 10 43.536 5.386 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 10 44.993 6.289 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 10 44.839 5.662 6.376 1.00 0.00 H new ATOM 109 N GLN A 11 43.931 2.156 7.745 1.00 0.00 N ATOM 110 CA GLN A 11 43.325 0.993 7.108 1.00 0.00 C ATOM 111 C GLN A 11 41.995 1.360 6.459 1.00 0.00 C ATOM 112 O GLN A 11 41.277 2.249 6.917 1.00 0.00 O ATOM 113 CB GLN A 11 43.116 -0.124 8.132 1.00 0.00 C ATOM 114 CG GLN A 11 44.326 -1.027 8.303 1.00 0.00 C ATOM 115 CD GLN A 11 44.058 -2.194 9.233 1.00 0.00 C ATOM 116 OE1 GLN A 11 42.944 -2.717 9.286 1.00 0.00 O ATOM 117 NE2 GLN A 11 45.079 -2.609 9.973 1.00 0.00 N ATOM 0 H GLN A 11 43.705 2.261 8.734 1.00 0.00 H new ATOM 0 HA GLN A 11 44.003 0.641 6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 11 42.865 0.320 9.095 1.00 0.00 H new ATOM 0 HB3 GLN A 11 42.262 -0.729 7.828 1.00 0.00 H new ATOM 0 HG2 GLN A 11 44.631 -1.407 7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 11 45.159 -0.442 8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 11 45.985 -2.147 9.897 1.00 0.00 H new ATOM 0 HE22 GLN A 11 44.957 -3.390 10.617 1.00 0.00 H new ATOM 126 N PRO A 12 41.657 0.660 5.365 1.00 0.00 N ATOM 127 CA PRO A 12 40.411 0.895 4.630 1.00 0.00 C ATOM 128 C PRO A 12 39.182 0.449 5.414 1.00 0.00 C ATOM 129 O PRO A 12 39.124 -0.676 5.911 1.00 0.00 O ATOM 130 CB PRO A 12 40.578 0.043 3.369 1.00 0.00 C ATOM 131 CG PRO A 12 41.530 -1.033 3.762 1.00 0.00 C ATOM 132 CD PRO A 12 42.465 -0.414 4.763 1.00 0.00 C ATOM 0 HA PRO A 12 40.250 1.954 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.624 -0.372 3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 12 40.969 0.634 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 12 41.002 -1.882 4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 12 42.077 -1.406 2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 12 42.791 -1.138 5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.363 -0.022 4.285 1.00 0.00 H new ATOM 140 N VAL A 13 38.199 1.338 5.522 1.00 0.00 N ATOM 141 CA VAL A 13 36.970 1.036 6.245 1.00 0.00 C ATOM 142 C VAL A 13 36.025 0.195 5.394 1.00 0.00 C ATOM 143 O VAL A 13 34.871 -0.027 5.763 1.00 0.00 O ATOM 144 CB VAL A 13 36.243 2.323 6.680 1.00 0.00 C ATOM 145 CG1 VAL A 13 35.411 2.879 5.535 1.00 0.00 C ATOM 146 CG2 VAL A 13 35.376 2.057 7.901 1.00 0.00 C ATOM 0 H VAL A 13 38.231 2.274 5.117 1.00 0.00 H new ATOM 0 HA VAL A 13 37.256 0.472 7.133 1.00 0.00 H new ATOM 0 HB VAL A 13 36.990 3.069 6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 13 34.905 3.788 5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 13 36.061 3.109 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 13 34.670 2.140 5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 13 34.870 2.976 8.195 1.00 0.00 H new ATOM 0 HG22 VAL A 13 34.634 1.295 7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 13 36.002 1.709 8.723 1.00 0.00 H new ATOM 156 N THR A 14 36.522 -0.273 4.253 1.00 0.00 N ATOM 157 CA THR A 14 35.722 -1.090 3.349 1.00 0.00 C ATOM 158 C THR A 14 35.091 -2.266 4.085 1.00 0.00 C ATOM 159 O THR A 14 35.691 -3.335 4.196 1.00 0.00 O ATOM 160 CB THR A 14 36.569 -1.625 2.179 1.00 0.00 C ATOM 161 OG1 THR A 14 37.246 -0.544 1.529 1.00 0.00 O ATOM 162 CG2 THR A 14 35.697 -2.361 1.173 1.00 0.00 C ATOM 0 H THR A 14 37.475 -0.100 3.933 1.00 0.00 H new ATOM 0 HA THR A 14 34.935 -0.448 2.954 1.00 0.00 H new ATOM 0 HB THR A 14 37.303 -2.323 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.783 -0.893 0.788 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.317 -2.730 0.356 1.00 0.00 H new ATOM 0 HG22 THR A 14 35.205 -3.201 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 14 34.943 -1.680 0.778 1.00 0.00 H new ATOM 170 N ILE A 15 33.876 -2.062 4.584 1.00 0.00 N ATOM 171 CA ILE A 15 33.163 -3.108 5.307 1.00 0.00 C ATOM 172 C ILE A 15 31.776 -3.336 4.716 1.00 0.00 C ATOM 173 O ILE A 15 31.070 -2.386 4.377 1.00 0.00 O ATOM 174 CB ILE A 15 33.021 -2.763 6.801 1.00 0.00 C ATOM 175 CG1 ILE A 15 34.397 -2.507 7.420 1.00 0.00 C ATOM 176 CG2 ILE A 15 32.303 -3.883 7.538 1.00 0.00 C ATOM 177 CD1 ILE A 15 34.369 -1.526 8.571 1.00 0.00 C ATOM 0 H ILE A 15 33.365 -1.183 4.501 1.00 0.00 H new ATOM 0 HA ILE A 15 33.753 -4.019 5.207 1.00 0.00 H new ATOM 0 HB ILE A 15 32.426 -1.854 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.811 -3.453 7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.069 -2.131 6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 15 32.211 -3.624 8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 15 31.310 -4.022 7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 15 32.873 -4.807 7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 15 35.378 -1.393 8.960 1.00 0.00 H new ATOM 0 HD12 ILE A 15 33.985 -0.567 8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 15 33.723 -1.910 9.361 1.00 0.00 H new ATOM 189 N ARG A 16 31.390 -4.603 4.597 1.00 0.00 N ATOM 190 CA ARG A 16 30.087 -4.957 4.048 1.00 0.00 C ATOM 191 C ARG A 16 29.024 -4.978 5.142 1.00 0.00 C ATOM 192 O ARG A 16 28.064 -5.745 5.072 1.00 0.00 O ATOM 193 CB ARG A 16 30.153 -6.321 3.359 1.00 0.00 C ATOM 194 CG ARG A 16 30.506 -6.242 1.883 1.00 0.00 C ATOM 195 CD ARG A 16 30.035 -7.477 1.131 1.00 0.00 C ATOM 196 NE ARG A 16 30.480 -7.473 -0.260 1.00 0.00 N ATOM 197 CZ ARG A 16 30.338 -8.509 -1.080 1.00 0.00 C ATOM 198 NH1 ARG A 16 29.765 -9.625 -0.650 1.00 0.00 N ATOM 199 NH2 ARG A 16 30.769 -8.429 -2.332 1.00 0.00 N ATOM 0 H ARG A 16 31.962 -5.401 4.874 1.00 0.00 H new ATOM 0 HA ARG A 16 29.813 -4.200 3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 16 30.892 -6.940 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 16 29.190 -6.820 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 16 30.051 -5.353 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 16 31.585 -6.136 1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 16 30.411 -8.370 1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 16 28.947 -7.528 1.163 1.00 0.00 H new ATOM 0 HE ARG A 16 30.924 -6.629 -0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 16 29.432 -9.689 0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 16 29.657 -10.419 -1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 16 31.210 -7.572 -2.666 1.00 0.00 H new ATOM 0 HH22 ARG A 16 30.660 -9.225 -2.961 1.00 0.00 H new ATOM 213 N GLU A 17 29.203 -4.131 6.151 1.00 0.00 N ATOM 214 CA GLU A 17 28.259 -4.054 7.260 1.00 0.00 C ATOM 215 C GLU A 17 27.211 -2.974 7.009 1.00 0.00 C ATOM 216 O GLU A 17 27.511 -1.925 6.438 1.00 0.00 O ATOM 217 CB GLU A 17 28.998 -3.769 8.569 1.00 0.00 C ATOM 218 CG GLU A 17 28.073 -3.480 9.739 1.00 0.00 C ATOM 219 CD GLU A 17 27.598 -4.741 10.433 1.00 0.00 C ATOM 220 OE1 GLU A 17 28.450 -5.476 10.975 1.00 0.00 O ATOM 221 OE2 GLU A 17 26.376 -4.994 10.435 1.00 0.00 O ATOM 0 H GLU A 17 29.992 -3.489 6.223 1.00 0.00 H new ATOM 0 HA GLU A 17 27.752 -5.016 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 17 29.626 -4.625 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.663 -2.918 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 17 28.591 -2.847 10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 17 27.209 -2.918 9.384 1.00 0.00 H new ATOM 228 N ILE A 18 25.982 -3.238 7.439 1.00 0.00 N ATOM 229 CA ILE A 18 24.890 -2.289 7.262 1.00 0.00 C ATOM 230 C ILE A 18 25.149 -1.002 8.038 1.00 0.00 C ATOM 231 O ILE A 18 25.580 -1.037 9.190 1.00 0.00 O ATOM 232 CB ILE A 18 23.545 -2.887 7.715 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.253 -4.179 6.948 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.423 -1.879 7.513 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.202 -5.046 7.605 1.00 0.00 C ATOM 0 H ILE A 18 25.717 -4.102 7.913 1.00 0.00 H new ATOM 0 HA ILE A 18 24.837 -2.064 6.197 1.00 0.00 H new ATOM 0 HB ILE A 18 23.608 -3.123 8.777 1.00 0.00 H new ATOM 0 HG12 ILE A 18 22.926 -3.927 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.176 -4.751 6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.479 -2.316 7.838 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.629 -0.983 8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.357 -1.615 6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.046 -5.944 7.008 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.535 -5.328 8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.266 -4.491 7.678 1.00 0.00 H new ATOM 247 N ALA A 19 24.882 0.132 7.399 1.00 0.00 N ATOM 248 CA ALA A 19 25.082 1.430 8.031 1.00 0.00 C ATOM 249 C ALA A 19 23.884 1.810 8.896 1.00 0.00 C ATOM 250 O ALA A 19 24.045 2.316 10.006 1.00 0.00 O ATOM 251 CB ALA A 19 25.334 2.497 6.976 1.00 0.00 C ATOM 0 H ALA A 19 24.527 0.178 6.444 1.00 0.00 H new ATOM 0 HA ALA A 19 25.956 1.361 8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.482 3.461 7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.225 2.239 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.476 2.556 6.306 1.00 0.00 H new ATOM 257 N GLU A 20 22.685 1.564 8.378 1.00 0.00 N ATOM 258 CA GLU A 20 21.461 1.882 9.104 1.00 0.00 C ATOM 259 C GLU A 20 20.365 0.866 8.796 1.00 0.00 C ATOM 260 O GLU A 20 20.103 0.528 7.641 1.00 0.00 O ATOM 261 CB GLU A 20 20.981 3.290 8.745 1.00 0.00 C ATOM 262 CG GLU A 20 19.942 3.843 9.707 1.00 0.00 C ATOM 263 CD GLU A 20 20.563 4.441 10.955 1.00 0.00 C ATOM 264 OE1 GLU A 20 21.283 5.454 10.831 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.330 3.896 12.054 1.00 0.00 O ATOM 0 H GLU A 20 22.535 1.146 7.460 1.00 0.00 H new ATOM 0 HA GLU A 20 21.681 1.841 10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.838 3.963 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.562 3.276 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.351 4.605 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.256 3.046 9.993 1.00 0.00 H new ATOM 272 N PRO A 21 19.709 0.364 9.853 1.00 0.00 N ATOM 273 CA PRO A 21 18.632 -0.621 9.721 1.00 0.00 C ATOM 274 C PRO A 21 17.374 -0.025 9.100 1.00 0.00 C ATOM 275 O PRO A 21 17.134 1.182 9.161 1.00 0.00 O ATOM 276 CB PRO A 21 18.364 -1.048 11.167 1.00 0.00 C ATOM 277 CG PRO A 21 18.808 0.110 11.992 1.00 0.00 C ATOM 278 CD PRO A 21 19.969 0.721 11.258 1.00 0.00 C ATOM 0 HA PRO A 21 18.911 -1.444 9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.308 -1.266 11.326 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.918 -1.951 11.422 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.001 0.832 12.116 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.104 -0.213 12.990 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.009 1.801 11.397 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.921 0.319 11.605 1.00 0.00 H new ATOM 286 N PRO A 22 16.549 -0.887 8.488 1.00 0.00 N ATOM 287 CA PRO A 22 15.301 -0.468 7.844 1.00 0.00 C ATOM 288 C PRO A 22 14.247 -0.026 8.854 1.00 0.00 C ATOM 289 O PRO A 22 14.175 -0.556 9.963 1.00 0.00 O ATOM 290 CB PRO A 22 14.840 -1.728 7.108 1.00 0.00 C ATOM 291 CG PRO A 22 15.456 -2.855 7.864 1.00 0.00 C ATOM 292 CD PRO A 22 16.772 -2.339 8.377 1.00 0.00 C ATOM 0 HA PRO A 22 15.449 0.393 7.192 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.753 -1.805 7.098 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.169 -1.722 6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.814 -3.171 8.686 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.601 -3.723 7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.029 -2.781 9.340 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.588 -2.569 7.692 1.00 0.00 H new ATOM 300 N LYS A 23 13.431 0.947 8.464 1.00 0.00 N ATOM 301 CA LYS A 23 12.380 1.459 9.335 1.00 0.00 C ATOM 302 C LYS A 23 11.295 2.160 8.523 1.00 0.00 C ATOM 303 O LYS A 23 11.526 3.224 7.949 1.00 0.00 O ATOM 304 CB LYS A 23 12.968 2.428 10.364 1.00 0.00 C ATOM 305 CG LYS A 23 12.085 2.630 11.583 1.00 0.00 C ATOM 306 CD LYS A 23 12.054 1.390 12.461 1.00 0.00 C ATOM 307 CE LYS A 23 13.161 1.417 13.503 1.00 0.00 C ATOM 308 NZ LYS A 23 13.301 0.108 14.198 1.00 0.00 N ATOM 0 H LYS A 23 13.477 1.397 7.550 1.00 0.00 H new ATOM 0 HA LYS A 23 11.931 0.614 9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.940 2.055 10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.139 3.392 9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.451 3.478 12.162 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.072 2.876 11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.087 1.319 12.958 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.159 0.500 11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.105 1.676 13.023 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.951 2.196 14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.066 0.168 14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.409 -0.128 14.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.527 -0.632 13.503 1.00 0.00 H new ATOM 322 N ILE A 24 10.111 1.558 8.482 1.00 0.00 N ATOM 323 CA ILE A 24 8.991 2.126 7.743 1.00 0.00 C ATOM 324 C ILE A 24 8.247 3.160 8.582 1.00 0.00 C ATOM 325 O ILE A 24 7.368 2.816 9.373 1.00 0.00 O ATOM 326 CB ILE A 24 8.000 1.035 7.295 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.708 0.001 6.418 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.829 1.657 6.550 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.045 -1.358 6.431 1.00 0.00 C ATOM 0 H ILE A 24 9.903 0.677 8.952 1.00 0.00 H new ATOM 0 HA ILE A 24 9.409 2.610 6.860 1.00 0.00 H new ATOM 0 HB ILE A 24 7.615 0.529 8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.743 0.369 5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.739 -0.104 6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.138 0.874 6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.312 2.359 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.197 2.185 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.601 -2.040 5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.034 -1.748 7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.022 -1.267 6.066 1.00 0.00 H new ATOM 341 N ARG A 25 8.603 4.427 8.402 1.00 0.00 N ATOM 342 CA ARG A 25 7.969 5.512 9.141 1.00 0.00 C ATOM 343 C ARG A 25 6.639 5.901 8.503 1.00 0.00 C ATOM 344 O ARG A 25 6.606 6.573 7.471 1.00 0.00 O ATOM 345 CB ARG A 25 8.895 6.728 9.199 1.00 0.00 C ATOM 346 CG ARG A 25 10.258 6.429 9.800 1.00 0.00 C ATOM 347 CD ARG A 25 10.234 6.541 11.317 1.00 0.00 C ATOM 348 NE ARG A 25 9.839 7.875 11.761 1.00 0.00 N ATOM 349 CZ ARG A 25 9.537 8.171 13.020 1.00 0.00 C ATOM 350 NH1 ARG A 25 9.584 7.232 13.955 1.00 0.00 N ATOM 351 NH2 ARG A 25 9.186 9.408 13.346 1.00 0.00 N ATOM 0 H ARG A 25 9.328 4.728 7.750 1.00 0.00 H new ATOM 0 HA ARG A 25 7.776 5.162 10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.030 7.119 8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.414 7.512 9.783 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.571 5.425 9.513 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.996 7.121 9.394 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.542 5.804 11.724 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.221 6.304 11.714 1.00 0.00 H new ATOM 0 HE ARG A 25 9.793 8.620 11.066 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.853 6.279 13.708 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.352 7.462 14.921 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.148 10.133 12.629 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.954 9.634 14.313 1.00 0.00 H new ATOM 365 N LEU A 26 5.544 5.473 9.121 1.00 0.00 N ATOM 366 CA LEU A 26 4.210 5.776 8.613 1.00 0.00 C ATOM 367 C LEU A 26 3.726 7.127 9.128 1.00 0.00 C ATOM 368 O LEU A 26 3.857 7.453 10.308 1.00 0.00 O ATOM 369 CB LEU A 26 3.226 4.678 9.022 1.00 0.00 C ATOM 370 CG LEU A 26 3.179 3.447 8.117 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.499 2.288 8.827 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.463 3.771 6.813 1.00 0.00 C ATOM 0 H LEU A 26 5.553 4.915 9.975 1.00 0.00 H new ATOM 0 HA LEU A 26 4.263 5.821 7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.475 4.352 10.032 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.227 5.111 9.065 1.00 0.00 H new ATOM 0 HG LEU A 26 4.202 3.152 7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.475 1.421 8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.053 2.040 9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.480 2.571 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.439 2.883 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.444 4.092 7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.993 4.570 6.296 1.00 0.00 H new ATOM 384 N PRO A 27 3.149 7.933 8.223 1.00 0.00 N ATOM 385 CA PRO A 27 2.631 9.261 8.563 1.00 0.00 C ATOM 386 C PRO A 27 1.384 9.190 9.439 1.00 0.00 C ATOM 387 O PRO A 27 0.969 8.109 9.857 1.00 0.00 O ATOM 388 CB PRO A 27 2.293 9.869 7.200 1.00 0.00 C ATOM 389 CG PRO A 27 2.044 8.698 6.314 1.00 0.00 C ATOM 390 CD PRO A 27 2.960 7.609 6.799 1.00 0.00 C ATOM 0 HA PRO A 27 3.350 9.844 9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.416 10.513 7.260 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.113 10.482 6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.002 8.383 6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.250 8.946 5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.517 6.622 6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.906 7.609 6.258 1.00 0.00 H new ATOM 398 N ARG A 28 0.791 10.348 9.711 1.00 0.00 N ATOM 399 CA ARG A 28 -0.408 10.416 10.538 1.00 0.00 C ATOM 400 C ARG A 28 -1.666 10.301 9.681 1.00 0.00 C ATOM 401 O ARG A 28 -2.771 10.144 10.201 1.00 0.00 O ATOM 402 CB ARG A 28 -0.434 11.725 11.329 1.00 0.00 C ATOM 403 CG ARG A 28 -1.272 11.655 12.595 1.00 0.00 C ATOM 404 CD ARG A 28 -1.340 13.004 13.293 1.00 0.00 C ATOM 405 NE ARG A 28 -2.580 13.167 14.047 1.00 0.00 N ATOM 406 CZ ARG A 28 -3.060 14.347 14.427 1.00 0.00 C ATOM 407 NH1 ARG A 28 -2.407 15.460 14.123 1.00 0.00 N ATOM 408 NH2 ARG A 28 -4.195 14.414 15.110 1.00 0.00 N ATOM 0 H ARG A 28 1.121 11.251 9.371 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.387 9.579 11.236 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.587 12.000 11.594 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.822 12.518 10.690 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.280 11.321 12.348 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.848 10.914 13.273 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.490 13.107 13.967 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.258 13.800 12.553 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.107 12.330 14.296 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.535 15.412 13.597 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.777 16.364 14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.700 13.560 15.344 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.562 15.320 15.401 1.00 0.00 H new ATOM 422 N HIS A 29 -1.490 10.382 8.366 1.00 0.00 N ATOM 423 CA HIS A 29 -2.610 10.287 7.437 1.00 0.00 C ATOM 424 C HIS A 29 -2.761 8.863 6.911 1.00 0.00 C ATOM 425 O HIS A 29 -3.677 8.567 6.143 1.00 0.00 O ATOM 426 CB HIS A 29 -2.416 11.256 6.271 1.00 0.00 C ATOM 427 CG HIS A 29 -1.015 11.284 5.742 1.00 0.00 C ATOM 428 ND1 HIS A 29 -0.568 10.436 4.750 1.00 0.00 N ATOM 429 CD2 HIS A 29 0.040 12.065 6.071 1.00 0.00 C ATOM 430 CE1 HIS A 29 0.702 10.694 4.494 1.00 0.00 C ATOM 431 NE2 HIS A 29 1.095 11.679 5.281 1.00 0.00 N ATOM 0 H HIS A 29 -0.582 10.513 7.920 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.520 10.555 7.975 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.095 10.981 5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.694 12.259 6.593 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.050 12.847 6.816 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.315 10.186 3.765 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.030 12.087 5.299 1.00 0.00 H new ATOM 440 N LEU A 30 -1.857 7.984 7.329 1.00 0.00 N ATOM 441 CA LEU A 30 -1.889 6.590 6.900 1.00 0.00 C ATOM 442 C LEU A 30 -2.078 5.658 8.092 1.00 0.00 C ATOM 443 O LEU A 30 -1.909 4.444 7.976 1.00 0.00 O ATOM 444 CB LEU A 30 -0.598 6.235 6.159 1.00 0.00 C ATOM 445 CG LEU A 30 -0.439 6.835 4.762 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.977 6.626 4.250 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.451 6.228 3.802 1.00 0.00 C ATOM 0 H LEU A 30 -1.093 8.212 7.965 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.735 6.462 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.247 6.556 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.537 5.150 6.076 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.626 7.907 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.072 7.059 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.683 7.110 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.193 5.559 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.323 6.667 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.296 5.151 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.460 6.431 4.161 1.00 0.00 H new ATOM 459 N ARG A 31 -2.432 6.233 9.237 1.00 0.00 N ATOM 460 CA ARG A 31 -2.645 5.453 10.450 1.00 0.00 C ATOM 461 C ARG A 31 -4.029 4.810 10.446 1.00 0.00 C ATOM 462 O ARG A 31 -4.202 3.684 10.912 1.00 0.00 O ATOM 463 CB ARG A 31 -2.486 6.339 11.686 1.00 0.00 C ATOM 464 CG ARG A 31 -1.041 6.695 11.998 1.00 0.00 C ATOM 465 CD ARG A 31 -0.875 7.127 13.447 1.00 0.00 C ATOM 466 NE ARG A 31 0.475 6.872 13.942 1.00 0.00 N ATOM 467 CZ ARG A 31 0.847 7.074 15.201 1.00 0.00 C ATOM 468 NH1 ARG A 31 -0.027 7.531 16.088 1.00 0.00 N ATOM 469 NH2 ARG A 31 2.094 6.819 15.576 1.00 0.00 N ATOM 0 H ARG A 31 -2.577 7.236 9.350 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.896 4.662 10.480 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.054 7.258 11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.920 5.829 12.546 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.402 5.835 11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.712 7.497 11.338 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.099 8.190 13.537 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.596 6.596 14.069 1.00 0.00 H new ATOM 0 HE ARG A 31 1.171 6.519 13.285 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.987 7.728 15.804 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.261 7.685 17.054 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.769 6.467 14.897 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.378 6.975 16.543 1.00 0.00 H new ATOM 483 N GLN A 32 -5.011 5.535 9.919 1.00 0.00 N ATOM 484 CA GLN A 32 -6.380 5.035 9.857 1.00 0.00 C ATOM 485 C GLN A 32 -6.787 4.742 8.417 1.00 0.00 C ATOM 486 O GLN A 32 -6.093 5.123 7.473 1.00 0.00 O ATOM 487 CB GLN A 32 -7.344 6.049 10.476 1.00 0.00 C ATOM 488 CG GLN A 32 -7.115 6.277 11.961 1.00 0.00 C ATOM 489 CD GLN A 32 -7.709 5.177 12.819 1.00 0.00 C ATOM 490 OE1 GLN A 32 -8.031 4.096 12.326 1.00 0.00 O ATOM 491 NE2 GLN A 32 -7.857 5.448 14.110 1.00 0.00 N ATOM 0 H GLN A 32 -4.885 6.469 9.529 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.427 4.106 10.425 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.245 6.999 9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.367 5.706 10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.044 6.344 12.153 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.552 7.233 12.249 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.576 6.358 14.476 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.251 4.746 14.736 1.00 0.00 H new ATOM 500 N THR A 33 -7.917 4.061 8.253 1.00 0.00 N ATOM 501 CA THR A 33 -8.417 3.715 6.929 1.00 0.00 C ATOM 502 C THR A 33 -8.384 4.921 5.996 1.00 0.00 C ATOM 503 O THR A 33 -9.036 5.933 6.252 1.00 0.00 O ATOM 504 CB THR A 33 -9.856 3.171 6.995 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.942 2.130 7.975 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.296 2.637 5.641 1.00 0.00 C ATOM 0 H THR A 33 -8.504 3.738 9.022 1.00 0.00 H new ATOM 0 HA THR A 33 -7.761 2.938 6.538 1.00 0.00 H new ATOM 0 HB THR A 33 -10.517 3.990 7.277 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.861 1.791 8.012 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.316 2.258 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.258 3.439 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.630 1.830 5.334 1.00 0.00 H new ATOM 514 N TYR A 34 -7.621 4.805 4.915 1.00 0.00 N ATOM 515 CA TYR A 34 -7.503 5.887 3.945 1.00 0.00 C ATOM 516 C TYR A 34 -8.775 6.015 3.113 1.00 0.00 C ATOM 517 O TYR A 34 -9.134 5.106 2.363 1.00 0.00 O ATOM 518 CB TYR A 34 -6.302 5.649 3.027 1.00 0.00 C ATOM 519 CG TYR A 34 -5.842 6.889 2.296 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.638 8.084 2.975 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.614 6.868 0.926 1.00 0.00 C ATOM 522 CE1 TYR A 34 -5.219 9.221 2.311 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.193 7.999 0.254 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.997 9.173 0.951 1.00 0.00 C ATOM 525 OH TYR A 34 -4.580 10.303 0.285 1.00 0.00 O ATOM 0 H TYR A 34 -7.075 3.973 4.688 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.354 6.817 4.494 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.474 5.259 3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.560 4.882 2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.810 8.125 4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.769 5.951 0.376 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.066 10.142 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.018 7.964 -0.811 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.799 10.088 -0.267 1.00 0.00 H new ATOM 535 N ILE A 35 -9.452 7.150 3.250 1.00 0.00 N ATOM 536 CA ILE A 35 -10.683 7.399 2.510 1.00 0.00 C ATOM 537 C ILE A 35 -10.401 8.132 1.203 1.00 0.00 C ATOM 538 O ILE A 35 -9.721 9.158 1.190 1.00 0.00 O ATOM 539 CB ILE A 35 -11.683 8.224 3.342 1.00 0.00 C ATOM 540 CG1 ILE A 35 -11.946 7.541 4.686 1.00 0.00 C ATOM 541 CG2 ILE A 35 -12.983 8.412 2.574 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.804 6.300 4.576 1.00 0.00 C ATOM 0 H ILE A 35 -9.169 7.912 3.867 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.121 6.425 2.290 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.251 9.207 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.992 7.274 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.432 8.250 5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.679 8.997 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.781 8.936 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.421 7.438 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.949 5.869 5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.772 6.564 4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.310 5.572 3.932 1.00 0.00 H new ATOM 554 N ARG A 36 -10.928 7.598 0.106 1.00 0.00 N ATOM 555 CA ARG A 36 -10.733 8.202 -1.207 1.00 0.00 C ATOM 556 C ARG A 36 -11.932 7.933 -2.112 1.00 0.00 C ATOM 557 O ARG A 36 -12.796 7.117 -1.790 1.00 0.00 O ATOM 558 CB ARG A 36 -9.458 7.661 -1.856 1.00 0.00 C ATOM 559 CG ARG A 36 -8.188 8.323 -1.348 1.00 0.00 C ATOM 560 CD ARG A 36 -8.025 9.724 -1.916 1.00 0.00 C ATOM 561 NE ARG A 36 -6.627 10.147 -1.937 1.00 0.00 N ATOM 562 CZ ARG A 36 -6.232 11.363 -2.298 1.00 0.00 C ATOM 563 NH1 ARG A 36 -7.125 12.272 -2.666 1.00 0.00 N ATOM 564 NH2 ARG A 36 -4.942 11.673 -2.290 1.00 0.00 N ATOM 0 H ARG A 36 -11.493 6.749 0.100 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.635 9.279 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.396 6.588 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.523 7.799 -2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.212 8.371 -0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.325 7.716 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.428 9.754 -2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.607 10.427 -1.320 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.915 9.472 -1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.118 12.038 -2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.819 13.205 -2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.252 10.977 -2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.640 12.607 -2.567 1.00 0.00 H new ATOM 578 N LYS A 37 -11.977 8.624 -3.246 1.00 0.00 N ATOM 579 CA LYS A 37 -13.068 8.461 -4.199 1.00 0.00 C ATOM 580 C LYS A 37 -12.606 7.681 -5.426 1.00 0.00 C ATOM 581 O LYS A 37 -11.424 7.689 -5.770 1.00 0.00 O ATOM 582 CB LYS A 37 -13.610 9.827 -4.624 1.00 0.00 C ATOM 583 CG LYS A 37 -14.533 10.461 -3.598 1.00 0.00 C ATOM 584 CD LYS A 37 -15.578 11.345 -4.259 1.00 0.00 C ATOM 585 CE LYS A 37 -15.070 12.767 -4.443 1.00 0.00 C ATOM 586 NZ LYS A 37 -15.389 13.626 -3.269 1.00 0.00 N ATOM 0 H LYS A 37 -11.270 9.303 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.863 7.898 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.772 10.499 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.148 9.718 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.028 9.680 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.946 11.053 -2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.850 10.926 -5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.483 11.357 -3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.991 12.750 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.514 13.198 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.026 14.587 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.420 13.663 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.944 13.229 -2.417 1.00 0.00 H new ATOM 600 N VAL A 38 -13.546 7.009 -6.083 1.00 0.00 N ATOM 601 CA VAL A 38 -13.236 6.227 -7.274 1.00 0.00 C ATOM 602 C VAL A 38 -12.879 7.131 -8.448 1.00 0.00 C ATOM 603 O VAL A 38 -13.441 8.214 -8.605 1.00 0.00 O ATOM 604 CB VAL A 38 -14.417 5.324 -7.676 1.00 0.00 C ATOM 605 CG1 VAL A 38 -15.644 6.162 -8.000 1.00 0.00 C ATOM 606 CG2 VAL A 38 -14.036 4.442 -8.855 1.00 0.00 C ATOM 0 H VAL A 38 -14.529 6.990 -5.810 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.378 5.602 -7.027 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.661 4.678 -6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.468 5.507 -8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -15.928 6.746 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.417 6.835 -8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.882 3.811 -9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.764 5.068 -9.705 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.188 3.814 -8.581 1.00 0.00 H new ATOM 616 N GLY A 39 -11.940 6.677 -9.273 1.00 0.00 N ATOM 617 CA GLY A 39 -11.524 7.458 -10.424 1.00 0.00 C ATOM 618 C GLY A 39 -10.609 8.605 -10.046 1.00 0.00 C ATOM 619 O GLY A 39 -10.004 9.236 -10.913 1.00 0.00 O ATOM 0 H GLY A 39 -11.460 5.783 -9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.013 6.808 -11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.406 7.852 -10.930 1.00 0.00 H new ATOM 623 N GLU A 40 -10.509 8.878 -8.749 1.00 0.00 N ATOM 624 CA GLU A 40 -9.662 9.960 -8.260 1.00 0.00 C ATOM 625 C GLU A 40 -8.213 9.501 -8.130 1.00 0.00 C ATOM 626 O GLU A 40 -7.945 8.360 -7.755 1.00 0.00 O ATOM 627 CB GLU A 40 -10.172 10.465 -6.908 1.00 0.00 C ATOM 628 CG GLU A 40 -11.236 11.544 -7.023 1.00 0.00 C ATOM 629 CD GLU A 40 -10.656 12.899 -7.380 1.00 0.00 C ATOM 630 OE1 GLU A 40 -10.235 13.076 -8.543 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.623 13.782 -6.498 1.00 0.00 O ATOM 0 H GLU A 40 -11.003 8.366 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.703 10.774 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.578 9.624 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.331 10.855 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.963 11.253 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.774 11.621 -6.078 1.00 0.00 H new ATOM 638 N GLN A 41 -7.284 10.398 -8.442 1.00 0.00 N ATOM 639 CA GLN A 41 -5.862 10.085 -8.362 1.00 0.00 C ATOM 640 C GLN A 41 -5.469 9.699 -6.940 1.00 0.00 C ATOM 641 O GLN A 41 -6.040 10.199 -5.969 1.00 0.00 O ATOM 642 CB GLN A 41 -5.028 11.279 -8.828 1.00 0.00 C ATOM 643 CG GLN A 41 -5.136 11.552 -10.319 1.00 0.00 C ATOM 644 CD GLN A 41 -6.505 12.064 -10.721 1.00 0.00 C ATOM 645 OE1 GLN A 41 -7.079 12.925 -10.053 1.00 0.00 O ATOM 646 NE2 GLN A 41 -7.037 11.536 -11.817 1.00 0.00 N ATOM 0 H GLN A 41 -7.490 11.347 -8.753 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.665 9.236 -9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.343 12.167 -8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.983 11.103 -8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.380 12.283 -10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.919 10.636 -10.869 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.526 10.825 -12.340 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.956 11.842 -12.136 1.00 0.00 H new ATOM 655 N LEU A 42 -4.493 8.806 -6.822 1.00 0.00 N ATOM 656 CA LEU A 42 -4.023 8.352 -5.518 1.00 0.00 C ATOM 657 C LEU A 42 -2.644 8.924 -5.206 1.00 0.00 C ATOM 658 O LEU A 42 -1.828 9.128 -6.104 1.00 0.00 O ATOM 659 CB LEU A 42 -3.976 6.824 -5.474 1.00 0.00 C ATOM 660 CG LEU A 42 -5.326 6.113 -5.385 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.220 4.695 -5.925 1.00 0.00 C ATOM 662 CD2 LEU A 42 -5.831 6.103 -3.950 1.00 0.00 C ATOM 0 H LEU A 42 -4.011 8.381 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.723 8.709 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.460 6.471 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.373 6.524 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.043 6.660 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.191 4.205 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.905 4.725 -6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.488 4.137 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.793 5.593 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.114 5.581 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.948 7.128 -3.598 1.00 0.00 H new ATOM 674 N ASN A 43 -2.390 9.180 -3.926 1.00 0.00 N ATOM 675 CA ASN A 43 -1.109 9.727 -3.496 1.00 0.00 C ATOM 676 C ASN A 43 -0.756 9.245 -2.092 1.00 0.00 C ATOM 677 O ASN A 43 -1.338 9.696 -1.104 1.00 0.00 O ATOM 678 CB ASN A 43 -1.147 11.256 -3.528 1.00 0.00 C ATOM 679 CG ASN A 43 0.240 11.869 -3.533 1.00 0.00 C ATOM 680 OD1 ASN A 43 0.668 12.474 -2.550 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.950 11.715 -4.645 1.00 0.00 N ATOM 0 H ASN A 43 -3.055 9.017 -3.169 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.342 9.375 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.690 11.585 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.699 11.621 -2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.890 12.106 -4.708 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.555 11.206 -5.436 1.00 0.00 H new ATOM 688 N LEU A 44 0.201 8.328 -2.011 1.00 0.00 N ATOM 689 CA LEU A 44 0.633 7.784 -0.728 1.00 0.00 C ATOM 690 C LEU A 44 2.135 7.969 -0.536 1.00 0.00 C ATOM 691 O LEU A 44 2.941 7.302 -1.184 1.00 0.00 O ATOM 692 CB LEU A 44 0.274 6.300 -0.633 1.00 0.00 C ATOM 693 CG LEU A 44 -1.185 5.943 -0.917 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.355 4.436 -1.023 1.00 0.00 C ATOM 695 CD2 LEU A 44 -2.093 6.509 0.165 1.00 0.00 C ATOM 0 H LEU A 44 0.693 7.945 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 44 0.115 8.328 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.904 5.749 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.525 5.949 0.368 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.469 6.388 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.400 4.201 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.734 4.056 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.053 3.969 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.128 6.245 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.809 6.094 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.993 7.594 0.193 1.00 0.00 H new ATOM 707 N VAL A 45 2.504 8.879 0.360 1.00 0.00 N ATOM 708 CA VAL A 45 3.909 9.150 0.640 1.00 0.00 C ATOM 709 C VAL A 45 4.349 8.485 1.939 1.00 0.00 C ATOM 710 O VAL A 45 4.098 9.000 3.029 1.00 0.00 O ATOM 711 CB VAL A 45 4.182 10.663 0.733 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.627 10.922 1.130 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.851 11.346 -0.585 1.00 0.00 C ATOM 0 H VAL A 45 1.849 9.441 0.904 1.00 0.00 H new ATOM 0 HA VAL A 45 4.482 8.735 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 45 3.538 11.084 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.801 11.996 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.825 10.467 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.293 10.488 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.050 12.414 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.467 10.923 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.798 11.190 -0.821 1.00 0.00 H new ATOM 723 N VAL A 46 5.007 7.337 1.817 1.00 0.00 N ATOM 724 CA VAL A 46 5.484 6.600 2.982 1.00 0.00 C ATOM 725 C VAL A 46 7.004 6.664 3.088 1.00 0.00 C ATOM 726 O VAL A 46 7.730 5.958 2.387 1.00 0.00 O ATOM 727 CB VAL A 46 5.045 5.125 2.931 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.311 4.443 4.265 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.575 5.019 2.553 1.00 0.00 C ATOM 0 H VAL A 46 5.222 6.896 0.923 1.00 0.00 H new ATOM 0 HA VAL A 46 5.042 7.073 3.859 1.00 0.00 H new ATOM 0 HB VAL A 46 5.631 4.616 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.995 3.401 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.377 4.487 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.753 4.951 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.282 3.970 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.970 5.543 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.418 5.469 1.573 1.00 0.00 H new ATOM 739 N PRO A 47 7.498 7.529 3.985 1.00 0.00 N ATOM 740 CA PRO A 47 8.937 7.705 4.205 1.00 0.00 C ATOM 741 C PRO A 47 9.573 6.493 4.878 1.00 0.00 C ATOM 742 O PRO A 47 8.993 5.900 5.787 1.00 0.00 O ATOM 743 CB PRO A 47 9.008 8.926 5.126 1.00 0.00 C ATOM 744 CG PRO A 47 7.697 8.945 5.832 1.00 0.00 C ATOM 745 CD PRO A 47 6.692 8.402 4.854 1.00 0.00 C ATOM 0 HA PRO A 47 9.481 7.828 3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.836 8.843 5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.164 9.842 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.731 8.336 6.735 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.434 9.957 6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.901 7.847 5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.211 9.200 4.287 1.00 0.00 H new ATOM 753 N PHE A 48 10.768 6.130 4.424 1.00 0.00 N ATOM 754 CA PHE A 48 11.483 4.988 4.982 1.00 0.00 C ATOM 755 C PHE A 48 12.919 5.364 5.333 1.00 0.00 C ATOM 756 O PHE A 48 13.460 6.340 4.815 1.00 0.00 O ATOM 757 CB PHE A 48 11.476 3.822 3.991 1.00 0.00 C ATOM 758 CG PHE A 48 12.054 4.172 2.650 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.404 4.457 2.515 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.248 4.216 1.524 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.938 4.780 1.282 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.777 4.539 0.288 1.00 0.00 C ATOM 763 CZ PHE A 48 13.123 4.820 0.167 1.00 0.00 C ATOM 0 H PHE A 48 11.262 6.610 3.671 1.00 0.00 H new ATOM 0 HA PHE A 48 10.973 4.682 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.040 2.992 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.451 3.476 3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.046 4.426 3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.194 3.995 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.991 5.001 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.138 4.571 -0.582 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.538 5.071 -0.798 1.00 0.00 H new ATOM 773 N GLN A 49 13.530 4.581 6.217 1.00 0.00 N ATOM 774 CA GLN A 49 14.903 4.833 6.639 1.00 0.00 C ATOM 775 C GLN A 49 15.789 3.623 6.357 1.00 0.00 C ATOM 776 O GLN A 49 15.296 2.532 6.075 1.00 0.00 O ATOM 777 CB GLN A 49 14.947 5.176 8.129 1.00 0.00 C ATOM 778 CG GLN A 49 13.950 6.249 8.535 1.00 0.00 C ATOM 779 CD GLN A 49 14.193 6.769 9.938 1.00 0.00 C ATOM 780 OE1 GLN A 49 14.963 7.708 10.141 1.00 0.00 O ATOM 781 NE2 GLN A 49 13.534 6.160 10.918 1.00 0.00 N ATOM 0 H GLN A 49 13.096 3.768 6.654 1.00 0.00 H new ATOM 0 HA GLN A 49 15.282 5.680 6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.752 4.273 8.707 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.952 5.509 8.387 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.006 7.078 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.940 5.844 8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.905 5.385 10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.657 6.467 11.883 1.00 0.00 H new ATOM 790 N GLY A 50 17.101 3.826 6.435 1.00 0.00 N ATOM 791 CA GLY A 50 18.035 2.743 6.186 1.00 0.00 C ATOM 792 C GLY A 50 19.163 3.153 5.260 1.00 0.00 C ATOM 793 O GLY A 50 19.042 4.124 4.513 1.00 0.00 O ATOM 0 H GLY A 50 17.533 4.720 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.452 2.402 7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.500 1.899 5.751 1.00 0.00 H new ATOM 797 N LYS A 51 20.265 2.412 5.308 1.00 0.00 N ATOM 798 CA LYS A 51 21.420 2.702 4.468 1.00 0.00 C ATOM 799 C LYS A 51 22.179 1.424 4.125 1.00 0.00 C ATOM 800 O LYS A 51 22.064 0.404 4.805 1.00 0.00 O ATOM 801 CB LYS A 51 22.354 3.689 5.172 1.00 0.00 C ATOM 802 CG LYS A 51 21.993 5.145 4.934 1.00 0.00 C ATOM 803 CD LYS A 51 23.162 6.066 5.236 1.00 0.00 C ATOM 804 CE LYS A 51 22.688 7.430 5.715 1.00 0.00 C ATOM 805 NZ LYS A 51 22.274 8.303 4.582 1.00 0.00 N ATOM 0 H LYS A 51 20.382 1.605 5.921 1.00 0.00 H new ATOM 0 HA LYS A 51 21.060 3.149 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.338 3.490 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.375 3.516 4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.682 5.279 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.143 5.417 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 51 23.797 5.612 5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.773 6.186 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.850 7.303 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.487 7.916 6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.958 9.223 4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.080 8.445 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.494 7.851 4.063 1.00 0.00 H new ATOM 819 N PRO A 52 22.974 1.478 3.047 1.00 0.00 N ATOM 820 CA PRO A 52 23.119 2.686 2.229 1.00 0.00 C ATOM 821 C PRO A 52 21.856 3.003 1.435 1.00 0.00 C ATOM 822 O PRO A 52 21.385 4.140 1.428 1.00 0.00 O ATOM 823 CB PRO A 52 24.272 2.339 1.284 1.00 0.00 C ATOM 824 CG PRO A 52 24.256 0.852 1.197 1.00 0.00 C ATOM 825 CD PRO A 52 23.794 0.363 2.542 1.00 0.00 C ATOM 0 HA PRO A 52 23.301 3.571 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.131 2.794 0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.224 2.703 1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.585 0.515 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.247 0.464 0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.214 -0.556 2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.634 0.151 3.203 1.00 0.00 H new ATOM 833 N ARG A 53 21.313 1.990 0.768 1.00 0.00 N ATOM 834 CA ARG A 53 20.105 2.162 -0.030 1.00 0.00 C ATOM 835 C ARG A 53 19.092 1.061 0.272 1.00 0.00 C ATOM 836 O ARG A 53 19.185 -0.058 -0.235 1.00 0.00 O ATOM 837 CB ARG A 53 20.448 2.159 -1.521 1.00 0.00 C ATOM 838 CG ARG A 53 19.437 2.901 -2.380 1.00 0.00 C ATOM 839 CD ARG A 53 18.294 1.993 -2.806 1.00 0.00 C ATOM 840 NE ARG A 53 18.689 1.083 -3.878 1.00 0.00 N ATOM 841 CZ ARG A 53 18.855 1.463 -5.140 1.00 0.00 C ATOM 842 NH1 ARG A 53 18.663 2.729 -5.486 1.00 0.00 N ATOM 843 NH2 ARG A 53 19.215 0.576 -6.059 1.00 0.00 N ATOM 0 H ARG A 53 21.690 1.042 0.764 1.00 0.00 H new ATOM 0 HA ARG A 53 19.661 3.122 0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.431 2.610 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.519 1.128 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.040 3.751 -1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.933 3.302 -3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.951 1.415 -1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.452 2.601 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 53 18.846 0.102 -3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.387 3.414 -4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.791 3.018 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.364 -0.398 -5.797 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.342 0.868 -7.028 1.00 0.00 H new ATOM 857 N PRO A 54 18.103 1.382 1.119 1.00 0.00 N ATOM 858 CA PRO A 54 17.055 0.434 1.507 1.00 0.00 C ATOM 859 C PRO A 54 16.102 0.120 0.359 1.00 0.00 C ATOM 860 O PRO A 54 15.612 1.024 -0.317 1.00 0.00 O ATOM 861 CB PRO A 54 16.315 1.164 2.631 1.00 0.00 C ATOM 862 CG PRO A 54 16.557 2.610 2.367 1.00 0.00 C ATOM 863 CD PRO A 54 17.931 2.696 1.761 1.00 0.00 C ATOM 0 HA PRO A 54 17.468 -0.530 1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.250 0.932 2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.694 0.871 3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.805 3.014 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.500 3.190 3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.001 3.509 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.694 2.876 2.518 1.00 0.00 H new ATOM 871 N GLN A 55 15.845 -1.167 0.145 1.00 0.00 N ATOM 872 CA GLN A 55 14.951 -1.599 -0.923 1.00 0.00 C ATOM 873 C GLN A 55 13.496 -1.548 -0.469 1.00 0.00 C ATOM 874 O GLN A 55 13.178 -1.889 0.671 1.00 0.00 O ATOM 875 CB GLN A 55 15.308 -3.016 -1.373 1.00 0.00 C ATOM 876 CG GLN A 55 14.983 -3.291 -2.833 1.00 0.00 C ATOM 877 CD GLN A 55 15.435 -4.667 -3.282 1.00 0.00 C ATOM 878 OE1 GLN A 55 16.253 -5.310 -2.624 1.00 0.00 O ATOM 879 NE2 GLN A 55 14.903 -5.126 -4.409 1.00 0.00 N ATOM 0 H GLN A 55 16.243 -1.927 0.696 1.00 0.00 H new ATOM 0 HA GLN A 55 15.074 -0.917 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.373 -3.183 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.773 -3.732 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.908 -3.198 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.460 -2.535 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.228 -4.559 -4.922 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.169 -6.046 -4.761 1.00 0.00 H new ATOM 888 N VAL A 56 12.615 -1.120 -1.367 1.00 0.00 N ATOM 889 CA VAL A 56 11.193 -1.025 -1.059 1.00 0.00 C ATOM 890 C VAL A 56 10.375 -1.956 -1.947 1.00 0.00 C ATOM 891 O VAL A 56 10.520 -1.952 -3.169 1.00 0.00 O ATOM 892 CB VAL A 56 10.676 0.416 -1.231 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.187 0.489 -0.930 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.456 1.371 -0.341 1.00 0.00 C ATOM 0 H VAL A 56 12.861 -0.833 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 56 11.074 -1.324 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 56 10.827 0.717 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.840 1.514 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.645 -0.165 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.007 0.169 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.078 2.384 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.339 1.075 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.512 1.339 -0.610 1.00 0.00 H new ATOM 904 N VAL A 57 9.513 -2.753 -1.323 1.00 0.00 N ATOM 905 CA VAL A 57 8.670 -3.690 -2.056 1.00 0.00 C ATOM 906 C VAL A 57 7.192 -3.406 -1.812 1.00 0.00 C ATOM 907 O VAL A 57 6.761 -3.245 -0.670 1.00 0.00 O ATOM 908 CB VAL A 57 8.974 -5.147 -1.661 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.038 -6.103 -2.385 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.427 -5.486 -1.953 1.00 0.00 C ATOM 0 H VAL A 57 9.380 -2.768 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 57 8.893 -3.555 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 57 8.808 -5.257 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.268 -7.128 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.006 -5.873 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.168 -5.994 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.624 -6.519 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.623 -5.360 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.077 -4.822 -1.383 1.00 0.00 H new ATOM 920 N TRP A 58 6.421 -3.345 -2.891 1.00 0.00 N ATOM 921 CA TRP A 58 4.990 -3.081 -2.794 1.00 0.00 C ATOM 922 C TRP A 58 4.181 -4.295 -3.236 1.00 0.00 C ATOM 923 O TRP A 58 4.279 -4.736 -4.382 1.00 0.00 O ATOM 924 CB TRP A 58 4.616 -1.866 -3.645 1.00 0.00 C ATOM 925 CG TRP A 58 4.981 -0.559 -3.008 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.087 0.198 -3.266 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.238 0.142 -2.004 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.077 1.328 -2.484 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.953 1.317 -1.702 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.038 -0.108 -1.333 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.506 2.238 -0.757 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.596 0.806 -0.396 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.328 1.968 -0.116 1.00 0.00 C ATOM 0 H TRP A 58 6.762 -3.475 -3.843 1.00 0.00 H new ATOM 0 HA TRP A 58 4.754 -2.872 -1.751 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.113 -1.942 -4.612 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.543 -1.882 -3.836 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.857 -0.054 -3.980 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.791 2.057 -2.486 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.466 -1.000 -1.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.069 3.133 -0.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.671 0.622 0.130 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.955 2.664 0.620 1.00 0.00 H new ATOM 944 N THR A 59 3.380 -4.832 -2.321 1.00 0.00 N ATOM 945 CA THR A 59 2.555 -5.996 -2.616 1.00 0.00 C ATOM 946 C THR A 59 1.095 -5.741 -2.257 1.00 0.00 C ATOM 947 O THR A 59 0.779 -5.367 -1.127 1.00 0.00 O ATOM 948 CB THR A 59 3.048 -7.243 -1.857 1.00 0.00 C ATOM 949 OG1 THR A 59 3.334 -6.905 -0.495 1.00 0.00 O ATOM 950 CG2 THR A 59 4.293 -7.819 -2.515 1.00 0.00 C ATOM 0 H THR A 59 3.285 -4.479 -1.369 1.00 0.00 H new ATOM 0 HA THR A 59 2.637 -6.177 -3.688 1.00 0.00 H new ATOM 0 HB THR A 59 2.260 -7.996 -1.886 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.645 -7.703 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.623 -8.698 -1.962 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.064 -8.101 -3.543 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.085 -7.070 -2.512 1.00 0.00 H new ATOM 958 N LYS A 60 0.208 -5.946 -3.224 1.00 0.00 N ATOM 959 CA LYS A 60 -1.220 -5.741 -3.010 1.00 0.00 C ATOM 960 C LYS A 60 -1.945 -7.074 -2.860 1.00 0.00 C ATOM 961 O LYS A 60 -2.403 -7.656 -3.842 1.00 0.00 O ATOM 962 CB LYS A 60 -1.822 -4.948 -4.172 1.00 0.00 C ATOM 963 CG LYS A 60 -3.158 -4.305 -3.843 1.00 0.00 C ATOM 964 CD LYS A 60 -4.318 -5.231 -4.169 1.00 0.00 C ATOM 965 CE LYS A 60 -5.618 -4.732 -3.559 1.00 0.00 C ATOM 966 NZ LYS A 60 -6.568 -5.847 -3.287 1.00 0.00 N ATOM 0 H LYS A 60 0.453 -6.254 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.346 -5.174 -2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.119 -4.171 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.949 -5.612 -5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.186 -4.043 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.264 -3.376 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.429 -5.310 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.101 -6.232 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.404 -4.203 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.084 -4.015 -4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.442 -5.465 -2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.793 -6.336 -4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.134 -6.519 -2.623 1.00 0.00 H new ATOM 980 N GLY A 61 -2.047 -7.552 -1.623 1.00 0.00 N ATOM 981 CA GLY A 61 -2.719 -8.812 -1.368 1.00 0.00 C ATOM 982 C GLY A 61 -1.850 -10.010 -1.697 1.00 0.00 C ATOM 983 O GLY A 61 -2.291 -10.938 -2.374 1.00 0.00 O ATOM 0 H GLY A 61 -1.676 -7.089 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.013 -8.858 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.634 -8.858 -1.958 1.00 0.00 H new ATOM 987 N GLY A 62 -0.610 -9.989 -1.219 1.00 0.00 N ATOM 988 CA GLY A 62 0.304 -11.086 -1.479 1.00 0.00 C ATOM 989 C GLY A 62 0.579 -11.274 -2.957 1.00 0.00 C ATOM 990 O GLY A 62 0.503 -12.389 -3.473 1.00 0.00 O ATOM 0 H GLY A 62 -0.222 -9.232 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.244 -10.903 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.113 -12.007 -1.070 1.00 0.00 H new ATOM 994 N ALA A 63 0.898 -10.180 -3.642 1.00 0.00 N ATOM 995 CA ALA A 63 1.185 -10.230 -5.070 1.00 0.00 C ATOM 996 C ALA A 63 1.651 -8.872 -5.584 1.00 0.00 C ATOM 997 O ALA A 63 1.266 -7.822 -5.071 1.00 0.00 O ATOM 998 CB ALA A 63 -0.043 -10.695 -5.840 1.00 0.00 C ATOM 0 H ALA A 63 0.964 -9.249 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 63 1.992 -10.946 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.186 -10.727 -6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.330 -11.690 -5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.865 -10.001 -5.667 1.00 0.00 H new ATOM 1004 N PRO A 64 2.501 -8.891 -6.622 1.00 0.00 N ATOM 1005 CA PRO A 64 3.038 -7.669 -7.228 1.00 0.00 C ATOM 1006 C PRO A 64 1.974 -6.882 -7.987 1.00 0.00 C ATOM 1007 O PRO A 64 0.871 -7.377 -8.222 1.00 0.00 O ATOM 1008 CB PRO A 64 4.106 -8.191 -8.191 1.00 0.00 C ATOM 1009 CG PRO A 64 3.675 -9.578 -8.521 1.00 0.00 C ATOM 1010 CD PRO A 64 3.002 -10.107 -7.284 1.00 0.00 C ATOM 0 HA PRO A 64 3.422 -6.977 -6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.168 -7.572 -9.086 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.093 -8.183 -7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.991 -9.583 -9.370 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.529 -10.197 -8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.192 -10.794 -7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.700 -10.652 -6.649 1.00 0.00 H new ATOM 1018 N LEU A 65 2.312 -5.656 -8.368 1.00 0.00 N ATOM 1019 CA LEU A 65 1.386 -4.800 -9.102 1.00 0.00 C ATOM 1020 C LEU A 65 1.734 -4.769 -10.587 1.00 0.00 C ATOM 1021 O LEU A 65 2.734 -5.346 -11.013 1.00 0.00 O ATOM 1022 CB LEU A 65 1.410 -3.381 -8.531 1.00 0.00 C ATOM 1023 CG LEU A 65 1.470 -3.272 -7.007 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.199 -2.004 -6.590 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.069 -3.302 -6.414 1.00 0.00 C ATOM 0 H LEU A 65 3.220 -5.232 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 65 0.383 -5.212 -8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.271 -2.858 -8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.520 -2.856 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 65 2.024 -4.128 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.232 -1.944 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.216 -2.023 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.673 -1.135 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.132 -3.223 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.510 -2.466 -6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.420 -4.239 -6.682 1.00 0.00 H new ATOM 1037 N ASP A 66 0.903 -4.089 -11.369 1.00 0.00 N ATOM 1038 CA ASP A 66 1.123 -3.979 -12.806 1.00 0.00 C ATOM 1039 C ASP A 66 1.567 -2.569 -13.182 1.00 0.00 C ATOM 1040 O ASP A 66 0.745 -1.718 -13.524 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.150 -4.347 -13.569 1.00 0.00 C ATOM 1042 CG ASP A 66 -0.325 -5.846 -13.716 1.00 0.00 C ATOM 1043 OD1 ASP A 66 0.405 -6.452 -14.529 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -1.190 -6.413 -13.017 1.00 0.00 O ATOM 0 H ASP A 66 0.071 -3.606 -11.032 1.00 0.00 H new ATOM 0 HA ASP A 66 1.915 -4.675 -13.081 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.014 -3.933 -13.049 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.123 -3.889 -14.558 1.00 0.00 H new ATOM 1049 N THR A 67 2.872 -2.326 -13.114 1.00 0.00 N ATOM 1050 CA THR A 67 3.425 -1.019 -13.444 1.00 0.00 C ATOM 1051 C THR A 67 2.726 -0.417 -14.658 1.00 0.00 C ATOM 1052 O THR A 67 2.684 0.803 -14.821 1.00 0.00 O ATOM 1053 CB THR A 67 4.937 -1.103 -13.726 1.00 0.00 C ATOM 1054 OG1 THR A 67 5.173 -1.887 -14.901 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.674 -1.715 -12.545 1.00 0.00 C ATOM 0 H THR A 67 3.566 -3.018 -12.833 1.00 0.00 H new ATOM 0 HA THR A 67 3.260 -0.378 -12.578 1.00 0.00 H new ATOM 0 HB THR A 67 5.312 -0.092 -13.883 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.136 -1.934 -15.075 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.740 -1.764 -12.767 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.516 -1.100 -11.659 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.295 -2.720 -12.361 1.00 0.00 H new ATOM 1063 N SER A 68 2.177 -1.280 -15.507 1.00 0.00 N ATOM 1064 CA SER A 68 1.481 -0.832 -16.708 1.00 0.00 C ATOM 1065 C SER A 68 0.382 0.166 -16.360 1.00 0.00 C ATOM 1066 O SER A 68 0.245 1.205 -17.006 1.00 0.00 O ATOM 1067 CB SER A 68 0.883 -2.028 -17.451 1.00 0.00 C ATOM 1068 OG SER A 68 0.188 -1.610 -18.614 1.00 0.00 O ATOM 0 H SER A 68 2.201 -2.292 -15.386 1.00 0.00 H new ATOM 0 HA SER A 68 2.205 -0.336 -17.354 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.677 -2.722 -17.727 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.203 -2.567 -16.791 1.00 0.00 H new ATOM 0 HG SER A 68 -0.184 -2.393 -19.072 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.398 -0.157 -15.334 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.486 0.711 -14.899 1.00 0.00 C ATOM 1076 C ARG A 69 -1.066 1.548 -13.694 1.00 0.00 C ATOM 1077 O ARG A 69 -1.453 2.710 -13.567 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.722 -0.121 -14.549 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.062 -1.174 -15.592 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.557 -1.451 -15.636 1.00 0.00 C ATOM 1081 NE ARG A 69 -5.326 -0.256 -15.970 1.00 0.00 N ATOM 1082 CZ ARG A 69 -6.642 -0.255 -16.151 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -7.331 -1.381 -16.030 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -7.271 0.873 -16.453 1.00 0.00 N ATOM 0 H ARG A 69 -0.297 -1.013 -14.788 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.730 1.385 -15.720 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.560 -0.611 -13.589 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.576 0.546 -14.426 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.724 -0.839 -16.573 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.526 -2.096 -15.368 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.760 -2.230 -16.371 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.883 -1.833 -14.669 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.825 0.627 -16.070 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.851 -2.250 -15.797 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.341 -1.378 -16.169 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.744 1.741 -16.547 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.282 0.872 -16.592 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.273 0.949 -12.811 1.00 0.00 N ATOM 1099 CA VAL A 70 0.200 1.639 -11.617 1.00 0.00 C ATOM 1100 C VAL A 70 1.495 2.394 -11.895 1.00 0.00 C ATOM 1101 O VAL A 70 2.333 1.944 -12.678 1.00 0.00 O ATOM 1102 CB VAL A 70 0.432 0.655 -10.455 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.703 1.409 -9.162 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -0.761 -0.276 -10.299 1.00 0.00 C ATOM 0 H VAL A 70 0.055 -0.013 -12.900 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.577 2.349 -11.333 1.00 0.00 H new ATOM 0 HB VAL A 70 1.309 0.049 -10.685 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.864 0.697 -8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.591 2.030 -9.282 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.152 2.042 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.580 -0.964 -9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.656 0.311 -10.092 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.903 -0.843 -11.219 1.00 0.00 H new ATOM 1114 N HIS A 71 1.653 3.545 -11.249 1.00 0.00 N ATOM 1115 CA HIS A 71 2.847 4.363 -11.426 1.00 0.00 C ATOM 1116 C HIS A 71 3.486 4.690 -10.080 1.00 0.00 C ATOM 1117 O HIS A 71 3.234 5.747 -9.501 1.00 0.00 O ATOM 1118 CB HIS A 71 2.501 5.655 -12.166 1.00 0.00 C ATOM 1119 CG HIS A 71 1.771 5.431 -13.455 1.00 0.00 C ATOM 1120 ND1 HIS A 71 2.095 4.421 -14.337 1.00 0.00 N ATOM 1121 CD2 HIS A 71 0.727 6.091 -14.008 1.00 0.00 C ATOM 1122 CE1 HIS A 71 1.283 4.472 -15.378 1.00 0.00 C ATOM 1123 NE2 HIS A 71 0.443 5.476 -15.203 1.00 0.00 N ATOM 0 H HIS A 71 0.969 3.932 -10.599 1.00 0.00 H new ATOM 0 HA HIS A 71 3.562 3.794 -12.019 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.891 6.283 -11.517 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.420 6.205 -12.369 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.213 6.943 -13.588 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.303 3.806 -16.228 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.296 5.750 -15.850 1.00 0.00 H new ATOM 1132 N VAL A 72 4.315 3.775 -9.586 1.00 0.00 N ATOM 1133 CA VAL A 72 4.990 3.965 -8.308 1.00 0.00 C ATOM 1134 C VAL A 72 6.362 4.603 -8.501 1.00 0.00 C ATOM 1135 O VAL A 72 7.245 4.021 -9.131 1.00 0.00 O ATOM 1136 CB VAL A 72 5.158 2.631 -7.557 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.897 2.846 -6.246 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.803 1.983 -7.315 1.00 0.00 C ATOM 0 H VAL A 72 4.535 2.895 -10.052 1.00 0.00 H new ATOM 0 HA VAL A 72 4.362 4.630 -7.715 1.00 0.00 H new ATOM 0 HB VAL A 72 5.752 1.958 -8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.006 1.892 -5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.883 3.264 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.332 3.536 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.940 1.041 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.182 2.650 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.315 1.792 -8.271 1.00 0.00 H new ATOM 1148 N ARG A 73 6.533 5.802 -7.955 1.00 0.00 N ATOM 1149 CA ARG A 73 7.797 6.520 -8.067 1.00 0.00 C ATOM 1150 C ARG A 73 8.573 6.464 -6.754 1.00 0.00 C ATOM 1151 O ARG A 73 8.323 7.249 -5.839 1.00 0.00 O ATOM 1152 CB ARG A 73 7.548 7.976 -8.463 1.00 0.00 C ATOM 1153 CG ARG A 73 6.829 8.131 -9.794 1.00 0.00 C ATOM 1154 CD ARG A 73 7.720 7.731 -10.959 1.00 0.00 C ATOM 1155 NE ARG A 73 6.966 7.588 -12.201 1.00 0.00 N ATOM 1156 CZ ARG A 73 7.532 7.531 -13.402 1.00 0.00 C ATOM 1157 NH1 ARG A 73 8.851 7.603 -13.521 1.00 0.00 N ATOM 1158 NH2 ARG A 73 6.779 7.401 -14.486 1.00 0.00 N ATOM 0 H ARG A 73 5.812 6.297 -7.430 1.00 0.00 H new ATOM 0 HA ARG A 73 8.392 6.037 -8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.960 8.460 -7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.503 8.499 -8.513 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.928 7.517 -9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.509 9.166 -9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.500 8.481 -11.093 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.219 6.790 -10.727 1.00 0.00 H new ATOM 0 HE ARG A 73 5.949 7.529 -12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.433 7.702 -12.690 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.283 7.559 -14.444 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.764 7.345 -14.398 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.215 7.357 -15.407 1.00 0.00 H new ATOM 1172 N THR A 74 9.515 5.530 -6.669 1.00 0.00 N ATOM 1173 CA THR A 74 10.326 5.371 -5.469 1.00 0.00 C ATOM 1174 C THR A 74 11.549 6.279 -5.506 1.00 0.00 C ATOM 1175 O THR A 74 12.218 6.393 -6.533 1.00 0.00 O ATOM 1176 CB THR A 74 10.789 3.912 -5.293 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.659 3.033 -5.315 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.549 3.739 -3.987 1.00 0.00 C ATOM 0 H THR A 74 9.735 4.872 -7.417 1.00 0.00 H new ATOM 0 HA THR A 74 9.696 5.650 -4.624 1.00 0.00 H new ATOM 0 HB THR A 74 11.457 3.664 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.962 2.108 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.866 2.701 -3.885 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.425 4.387 -3.987 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.902 4.005 -3.151 1.00 0.00 H new ATOM 1186 N SER A 75 11.837 6.924 -4.380 1.00 0.00 N ATOM 1187 CA SER A 75 12.979 7.826 -4.286 1.00 0.00 C ATOM 1188 C SER A 75 13.882 7.439 -3.118 1.00 0.00 C ATOM 1189 O SER A 75 13.405 7.029 -2.060 1.00 0.00 O ATOM 1190 CB SER A 75 12.503 9.270 -4.120 1.00 0.00 C ATOM 1191 OG SER A 75 13.596 10.145 -3.897 1.00 0.00 O ATOM 0 H SER A 75 11.295 6.839 -3.520 1.00 0.00 H new ATOM 0 HA SER A 75 13.552 7.744 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.960 9.582 -5.012 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.806 9.333 -3.284 1.00 0.00 H new ATOM 0 HG SER A 75 13.266 11.062 -3.796 1.00 0.00 H new ATOM 1197 N ASP A 76 15.188 7.571 -3.320 1.00 0.00 N ATOM 1198 CA ASP A 76 16.159 7.237 -2.285 1.00 0.00 C ATOM 1199 C ASP A 76 15.676 7.703 -0.915 1.00 0.00 C ATOM 1200 O ASP A 76 15.804 6.986 0.077 1.00 0.00 O ATOM 1201 CB ASP A 76 17.515 7.870 -2.603 1.00 0.00 C ATOM 1202 CG ASP A 76 18.142 7.295 -3.858 1.00 0.00 C ATOM 1203 OD1 ASP A 76 17.453 7.249 -4.898 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.322 6.888 -3.800 1.00 0.00 O ATOM 0 H ASP A 76 15.599 7.907 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 76 16.269 6.153 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.391 8.946 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.190 7.718 -1.761 1.00 0.00 H new ATOM 1209 N PHE A 77 15.121 8.910 -0.868 1.00 0.00 N ATOM 1210 CA PHE A 77 14.620 9.473 0.380 1.00 0.00 C ATOM 1211 C PHE A 77 13.391 8.710 0.866 1.00 0.00 C ATOM 1212 O PHE A 77 13.381 8.167 1.971 1.00 0.00 O ATOM 1213 CB PHE A 77 14.276 10.952 0.195 1.00 0.00 C ATOM 1214 CG PHE A 77 15.462 11.864 0.326 1.00 0.00 C ATOM 1215 CD1 PHE A 77 15.966 12.193 1.574 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.072 12.394 -0.800 1.00 0.00 C ATOM 1217 CE1 PHE A 77 17.057 13.032 1.698 1.00 0.00 C ATOM 1218 CE2 PHE A 77 17.164 13.233 -0.682 1.00 0.00 C ATOM 1219 CZ PHE A 77 17.657 13.553 0.568 1.00 0.00 C ATOM 0 H PHE A 77 15.007 9.517 -1.680 1.00 0.00 H new ATOM 0 HA PHE A 77 15.404 9.381 1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.827 11.092 -0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.525 11.237 0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.500 11.789 2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.690 12.149 -1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.440 13.280 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.632 13.638 -1.567 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.510 14.209 0.662 1.00 0.00 H new ATOM 1229 N ASP A 78 12.357 8.674 0.033 1.00 0.00 N ATOM 1230 CA ASP A 78 11.122 7.978 0.377 1.00 0.00 C ATOM 1231 C ASP A 78 10.428 7.453 -0.876 1.00 0.00 C ATOM 1232 O ASP A 78 10.751 7.856 -1.994 1.00 0.00 O ATOM 1233 CB ASP A 78 10.182 8.910 1.143 1.00 0.00 C ATOM 1234 CG ASP A 78 9.861 10.174 0.369 1.00 0.00 C ATOM 1235 OD1 ASP A 78 8.900 10.153 -0.429 1.00 0.00 O ATOM 1236 OD2 ASP A 78 10.571 11.183 0.560 1.00 0.00 O ATOM 0 H ASP A 78 12.349 9.118 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 78 11.377 7.130 1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.256 8.381 1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.638 9.177 2.096 1.00 0.00 H new ATOM 1241 N THR A 79 9.472 6.550 -0.682 1.00 0.00 N ATOM 1242 CA THR A 79 8.733 5.967 -1.795 1.00 0.00 C ATOM 1243 C THR A 79 7.397 6.672 -1.997 1.00 0.00 C ATOM 1244 O THR A 79 6.752 7.089 -1.035 1.00 0.00 O ATOM 1245 CB THR A 79 8.480 4.464 -1.576 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.620 3.957 -2.602 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.853 4.214 -0.213 1.00 0.00 C ATOM 0 H THR A 79 9.191 6.206 0.236 1.00 0.00 H new ATOM 0 HA THR A 79 9.348 6.098 -2.685 1.00 0.00 H new ATOM 0 HB THR A 79 9.439 3.947 -1.618 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.131 3.367 -3.195 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.684 3.145 -0.081 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.523 4.574 0.567 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.902 4.743 -0.147 1.00 0.00 H new ATOM 1255 N VAL A 80 6.985 6.801 -3.254 1.00 0.00 N ATOM 1256 CA VAL A 80 5.723 7.454 -3.582 1.00 0.00 C ATOM 1257 C VAL A 80 4.848 6.555 -4.449 1.00 0.00 C ATOM 1258 O VAL A 80 5.314 5.976 -5.430 1.00 0.00 O ATOM 1259 CB VAL A 80 5.955 8.788 -4.317 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.628 9.437 -4.677 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.803 9.723 -3.467 1.00 0.00 C ATOM 0 H VAL A 80 7.507 6.462 -4.062 1.00 0.00 H new ATOM 0 HA VAL A 80 5.215 7.651 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 80 6.495 8.585 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.812 10.378 -5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.061 8.770 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.058 9.629 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.957 10.661 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.292 9.922 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.768 9.257 -3.266 1.00 0.00 H new ATOM 1271 N PHE A 81 3.576 6.443 -4.080 1.00 0.00 N ATOM 1272 CA PHE A 81 2.635 5.614 -4.823 1.00 0.00 C ATOM 1273 C PHE A 81 1.512 6.461 -5.413 1.00 0.00 C ATOM 1274 O PHE A 81 0.883 7.254 -4.711 1.00 0.00 O ATOM 1275 CB PHE A 81 2.049 4.531 -3.915 1.00 0.00 C ATOM 1276 CG PHE A 81 0.835 3.859 -4.490 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.428 4.392 -4.287 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.956 2.696 -5.232 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.548 3.775 -4.814 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.160 2.075 -5.762 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.413 2.616 -5.553 1.00 0.00 C ATOM 0 H PHE A 81 3.174 6.916 -3.271 1.00 0.00 H new ATOM 0 HA PHE A 81 3.176 5.139 -5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.813 3.778 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.788 4.975 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.539 5.299 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.934 2.269 -5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.527 4.199 -4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.052 1.168 -6.339 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.286 2.134 -5.967 1.00 0.00 H new ATOM 1291 N PHE A 82 1.265 6.289 -6.707 1.00 0.00 N ATOM 1292 CA PHE A 82 0.219 7.038 -7.393 1.00 0.00 C ATOM 1293 C PHE A 82 -0.527 6.149 -8.383 1.00 0.00 C ATOM 1294 O PHE A 82 0.015 5.162 -8.880 1.00 0.00 O ATOM 1295 CB PHE A 82 0.819 8.242 -8.123 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.138 8.906 -9.071 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.531 8.271 -10.237 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -0.644 10.166 -8.795 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.411 8.881 -11.112 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.524 10.781 -9.666 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.909 10.137 -10.825 1.00 0.00 C ATOM 0 H PHE A 82 1.776 5.637 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.490 7.392 -6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.155 8.973 -7.387 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.701 7.919 -8.676 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.146 7.288 -10.466 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.348 10.674 -7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.709 8.376 -12.019 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.910 11.764 -9.440 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.598 10.614 -11.506 1.00 0.00 H new ATOM 1311 N VAL A 83 -1.776 6.507 -8.666 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.598 5.743 -9.597 1.00 0.00 C ATOM 1313 C VAL A 83 -3.525 6.657 -10.389 1.00 0.00 C ATOM 1314 O VAL A 83 -4.156 7.553 -9.829 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.442 4.684 -8.863 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.539 4.152 -9.771 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.558 3.552 -8.361 1.00 0.00 C ATOM 0 H VAL A 83 -2.240 7.321 -8.264 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.916 5.241 -10.283 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.914 5.155 -8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.125 3.405 -9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.189 4.972 -10.076 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.091 3.697 -10.654 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.171 2.813 -7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.056 3.081 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.813 3.950 -7.672 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.604 6.423 -11.695 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.455 7.227 -12.565 1.00 0.00 C ATOM 1329 C ARG A 84 -5.895 7.236 -12.060 1.00 0.00 C ATOM 1330 O ARG A 84 -6.493 8.296 -11.881 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.409 6.689 -13.997 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.342 7.417 -14.951 1.00 0.00 C ATOM 1333 CD ARG A 84 -4.838 7.347 -16.384 1.00 0.00 C ATOM 1334 NE ARG A 84 -5.698 8.088 -17.303 1.00 0.00 N ATOM 1335 CZ ARG A 84 -5.689 9.411 -17.413 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -4.868 10.136 -16.665 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -6.501 10.013 -18.272 1.00 0.00 N ATOM 0 H ARG A 84 -3.090 5.684 -12.174 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.078 8.250 -12.556 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.388 6.765 -14.372 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.667 5.630 -13.987 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.338 6.979 -14.893 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.434 8.460 -14.647 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.825 7.748 -16.432 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.784 6.305 -16.699 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.341 7.560 -17.893 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.242 9.677 -16.003 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.863 11.152 -16.751 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.134 9.459 -18.849 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.493 11.030 -18.355 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.444 6.047 -11.832 1.00 0.00 N ATOM 1352 CA GLN A 85 -7.814 5.919 -11.349 1.00 0.00 C ATOM 1353 C GLN A 85 -7.926 4.797 -10.322 1.00 0.00 C ATOM 1354 O GLN A 85 -7.590 3.647 -10.605 1.00 0.00 O ATOM 1355 CB GLN A 85 -8.766 5.654 -12.517 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.434 4.394 -13.299 1.00 0.00 C ATOM 1357 CD GLN A 85 -9.406 4.139 -14.434 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -9.004 3.985 -15.588 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.693 4.093 -14.113 1.00 0.00 N ATOM 0 H GLN A 85 -5.962 5.160 -11.974 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.092 6.857 -10.868 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.784 5.577 -12.135 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.744 6.508 -13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.424 4.476 -13.702 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.439 3.539 -12.623 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.982 4.226 -13.144 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.393 3.925 -14.835 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.399 5.140 -9.128 1.00 0.00 N ATOM 1369 CA ALA A 86 -8.557 4.161 -8.060 1.00 0.00 C ATOM 1370 C ALA A 86 -9.979 3.612 -8.024 1.00 0.00 C ATOM 1371 O ALA A 86 -10.822 4.094 -7.268 1.00 0.00 O ATOM 1372 CB ALA A 86 -8.195 4.781 -6.718 1.00 0.00 C ATOM 0 H ALA A 86 -8.679 6.088 -8.877 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.880 3.331 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.318 4.039 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.159 5.119 -6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.849 5.631 -6.521 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.239 2.601 -8.846 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.559 1.986 -8.907 1.00 0.00 C ATOM 1380 C ALA A 87 -11.835 1.153 -7.660 1.00 0.00 C ATOM 1381 O ALA A 87 -10.928 0.535 -7.102 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.684 1.126 -10.156 1.00 0.00 C ATOM 0 H ALA A 87 -9.553 2.190 -9.479 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.301 2.783 -8.952 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.675 0.673 -10.188 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.540 1.746 -11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.927 0.342 -10.135 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.091 1.143 -7.227 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.485 0.387 -6.044 1.00 0.00 C ATOM 1390 C ARG A 88 -12.668 -0.895 -5.920 1.00 0.00 C ATOM 1391 O ARG A 88 -12.346 -1.334 -4.816 1.00 0.00 O ATOM 1392 CB ARG A 88 -14.977 0.051 -6.101 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.878 1.209 -5.704 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.347 0.852 -5.867 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.719 -0.316 -5.073 1.00 0.00 N ATOM 1396 CZ ARG A 88 -17.891 -0.284 -3.756 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -17.725 0.850 -3.089 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -18.229 -1.389 -3.104 1.00 0.00 N ATOM 0 H ARG A 88 -13.853 1.650 -7.677 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.292 1.006 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.231 -0.266 -7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.176 -0.795 -5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.682 1.485 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.644 2.080 -6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.961 1.702 -5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.558 0.657 -6.919 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.854 -1.204 -5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.465 1.701 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.858 0.871 -2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.357 -2.263 -3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.361 -1.364 -2.093 1.00 0.00 H new ATOM 1412 N SER A 89 -12.336 -1.491 -7.061 1.00 0.00 N ATOM 1413 CA SER A 89 -11.560 -2.726 -7.081 1.00 0.00 C ATOM 1414 C SER A 89 -10.197 -2.521 -6.427 1.00 0.00 C ATOM 1415 O SER A 89 -9.782 -3.304 -5.572 1.00 0.00 O ATOM 1416 CB SER A 89 -11.381 -3.217 -8.518 1.00 0.00 C ATOM 1417 OG SER A 89 -10.765 -2.227 -9.323 1.00 0.00 O ATOM 0 H SER A 89 -12.592 -1.139 -7.983 1.00 0.00 H new ATOM 0 HA SER A 89 -12.106 -3.479 -6.513 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.775 -4.123 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.351 -3.480 -8.939 1.00 0.00 H new ATOM 0 HG SER A 89 -10.660 -2.567 -10.236 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.505 -1.463 -6.836 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.189 -1.153 -6.291 1.00 0.00 C ATOM 1425 C ASP A 90 -8.190 -1.267 -4.769 1.00 0.00 C ATOM 1426 O ASP A 90 -7.220 -1.732 -4.171 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.758 0.254 -6.709 1.00 0.00 C ATOM 1428 CG ASP A 90 -6.258 0.453 -6.611 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -5.775 0.790 -5.510 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -5.568 0.274 -7.636 1.00 0.00 O ATOM 0 H ASP A 90 -9.834 -0.806 -7.543 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.478 -1.876 -6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.080 0.440 -7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.261 0.987 -6.078 1.00 0.00 H new ATOM 1435 N SER A 91 -9.286 -0.840 -4.150 1.00 0.00 N ATOM 1436 CA SER A 91 -9.411 -0.889 -2.698 1.00 0.00 C ATOM 1437 C SER A 91 -8.898 -2.219 -2.153 1.00 0.00 C ATOM 1438 O SER A 91 -9.185 -3.280 -2.705 1.00 0.00 O ATOM 1439 CB SER A 91 -10.870 -0.684 -2.284 1.00 0.00 C ATOM 1440 OG SER A 91 -10.957 -0.060 -1.015 1.00 0.00 O ATOM 0 H SER A 91 -10.100 -0.456 -4.631 1.00 0.00 H new ATOM 0 HA SER A 91 -8.805 -0.086 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.380 -0.073 -3.029 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.382 -1.646 -2.256 1.00 0.00 H new ATOM 0 HG SER A 91 -10.067 -0.022 -0.607 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.137 -2.151 -1.065 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.595 -3.355 -0.463 1.00 0.00 C ATOM 1448 C GLY A 92 -6.578 -3.055 0.620 1.00 0.00 C ATOM 1449 O GLY A 92 -6.716 -2.078 1.355 1.00 0.00 O ATOM 0 H GLY A 92 -7.886 -1.284 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.409 -3.944 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.128 -3.966 -1.236 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.555 -3.897 0.719 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.512 -3.717 1.722 1.00 0.00 C ATOM 1455 C GLU A 93 -3.126 -3.803 1.089 1.00 0.00 C ATOM 1456 O GLU A 93 -2.728 -4.851 0.580 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.647 -4.770 2.824 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.513 -4.741 3.836 1.00 0.00 C ATOM 1459 CD GLU A 93 -2.261 -5.429 3.328 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -2.292 -6.666 3.157 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -1.250 -4.731 3.102 1.00 0.00 O ATOM 0 H GLU A 93 -5.426 -4.710 0.117 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.632 -2.726 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.592 -4.619 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.690 -5.759 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.279 -3.706 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.840 -5.224 4.757 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.397 -2.693 1.123 1.00 0.00 N ATOM 1469 CA TYR A 94 -1.058 -2.641 0.550 1.00 0.00 C ATOM 1470 C TYR A 94 -0.001 -2.953 1.605 1.00 0.00 C ATOM 1471 O TYR A 94 0.123 -2.243 2.603 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.794 -1.262 -0.059 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.494 -1.041 -1.381 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.834 -1.370 -1.544 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.815 -0.501 -2.467 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.477 -1.169 -2.750 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.451 -0.296 -3.676 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.782 -0.632 -3.813 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.419 -0.430 -5.016 1.00 0.00 O ATOM 0 H TYR A 94 -2.711 -1.817 1.541 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.997 -3.396 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.115 -0.495 0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.279 -1.136 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.382 -1.790 -0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.227 -0.237 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.519 -1.431 -2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.909 0.125 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.270 0.031 -4.862 1.00 0.00 H new ATOM 1489 N GLU A 95 0.758 -4.020 1.376 1.00 0.00 N ATOM 1490 CA GLU A 95 1.804 -4.427 2.306 1.00 0.00 C ATOM 1491 C GLU A 95 3.137 -3.778 1.945 1.00 0.00 C ATOM 1492 O GLU A 95 3.720 -4.072 0.900 1.00 0.00 O ATOM 1493 CB GLU A 95 1.950 -5.950 2.310 1.00 0.00 C ATOM 1494 CG GLU A 95 2.424 -6.514 3.639 1.00 0.00 C ATOM 1495 CD GLU A 95 2.218 -8.012 3.744 1.00 0.00 C ATOM 1496 OE1 GLU A 95 2.999 -8.764 3.125 1.00 0.00 O ATOM 1497 OE2 GLU A 95 1.275 -8.433 4.447 1.00 0.00 O ATOM 0 H GLU A 95 0.668 -4.618 0.555 1.00 0.00 H new ATOM 0 HA GLU A 95 1.516 -4.094 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.990 -6.399 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.654 -6.241 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.482 -6.287 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.890 -6.020 4.450 1.00 0.00 H new ATOM 1504 N LEU A 96 3.613 -2.894 2.814 1.00 0.00 N ATOM 1505 CA LEU A 96 4.877 -2.202 2.587 1.00 0.00 C ATOM 1506 C LEU A 96 6.005 -2.854 3.380 1.00 0.00 C ATOM 1507 O LEU A 96 6.000 -2.841 4.611 1.00 0.00 O ATOM 1508 CB LEU A 96 4.751 -0.728 2.977 1.00 0.00 C ATOM 1509 CG LEU A 96 5.824 0.208 2.419 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.137 0.015 3.160 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.012 -0.026 0.927 1.00 0.00 C ATOM 0 H LEU A 96 3.143 -2.639 3.683 1.00 0.00 H new ATOM 0 HA LEU A 96 5.116 -2.272 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.776 -0.368 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.766 -0.658 4.065 1.00 0.00 H new ATOM 0 HG LEU A 96 5.495 1.237 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.889 0.689 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.993 0.233 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.472 -1.016 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.779 0.649 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.319 -1.058 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.073 0.163 0.408 1.00 0.00 H new ATOM 1523 N SER A 97 6.971 -3.423 2.666 1.00 0.00 N ATOM 1524 CA SER A 97 8.105 -4.082 3.303 1.00 0.00 C ATOM 1525 C SER A 97 9.422 -3.595 2.706 1.00 0.00 C ATOM 1526 O SER A 97 9.546 -3.440 1.491 1.00 0.00 O ATOM 1527 CB SER A 97 7.992 -5.600 3.149 1.00 0.00 C ATOM 1528 OG SER A 97 6.765 -6.077 3.673 1.00 0.00 O ATOM 0 H SER A 97 6.991 -3.441 1.646 1.00 0.00 H new ATOM 0 HA SER A 97 8.092 -3.830 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.070 -5.868 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.823 -6.083 3.663 1.00 0.00 H new ATOM 0 HG SER A 97 6.703 -7.045 3.532 1.00 0.00 H new ATOM 1534 N VAL A 98 10.403 -3.354 3.570 1.00 0.00 N ATOM 1535 CA VAL A 98 11.711 -2.886 3.129 1.00 0.00 C ATOM 1536 C VAL A 98 12.748 -4.001 3.204 1.00 0.00 C ATOM 1537 O VAL A 98 13.089 -4.473 4.288 1.00 0.00 O ATOM 1538 CB VAL A 98 12.195 -1.693 3.976 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.418 -1.049 3.342 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.077 -0.677 4.151 1.00 0.00 C ATOM 0 H VAL A 98 10.316 -3.475 4.579 1.00 0.00 H new ATOM 0 HA VAL A 98 11.600 -2.566 2.093 1.00 0.00 H new ATOM 0 HB VAL A 98 12.479 -2.061 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.745 -0.209 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.221 -1.783 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.165 -0.693 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.436 0.159 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.761 -0.312 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.232 -1.148 4.653 1.00 0.00 H new ATOM 1550 N GLN A 99 13.246 -4.416 2.044 1.00 0.00 N ATOM 1551 CA GLN A 99 14.245 -5.477 1.978 1.00 0.00 C ATOM 1552 C GLN A 99 15.655 -4.897 1.975 1.00 0.00 C ATOM 1553 O GLN A 99 16.045 -4.191 1.044 1.00 0.00 O ATOM 1554 CB GLN A 99 14.030 -6.332 0.728 1.00 0.00 C ATOM 1555 CG GLN A 99 14.622 -7.728 0.836 1.00 0.00 C ATOM 1556 CD GLN A 99 14.028 -8.693 -0.170 1.00 0.00 C ATOM 1557 OE1 GLN A 99 13.307 -9.622 0.194 1.00 0.00 O ATOM 1558 NE2 GLN A 99 14.328 -8.479 -1.446 1.00 0.00 N ATOM 0 H GLN A 99 12.975 -4.035 1.138 1.00 0.00 H new ATOM 0 HA GLN A 99 14.131 -6.104 2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.961 -6.414 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.472 -5.824 -0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.701 -7.674 0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.457 -8.112 1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.930 -7.697 -1.704 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.957 -9.097 -2.168 1.00 0.00 H new ATOM 1567 N ILE A 100 16.416 -5.199 3.021 1.00 0.00 N ATOM 1568 CA ILE A 100 17.783 -4.708 3.139 1.00 0.00 C ATOM 1569 C ILE A 100 18.791 -5.837 2.947 1.00 0.00 C ATOM 1570 O ILE A 100 18.456 -7.012 3.090 1.00 0.00 O ATOM 1571 CB ILE A 100 18.028 -4.044 4.506 1.00 0.00 C ATOM 1572 CG1 ILE A 100 16.969 -2.972 4.774 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.424 -3.442 4.561 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.339 -1.609 4.231 1.00 0.00 C ATOM 0 H ILE A 100 16.109 -5.782 3.800 1.00 0.00 H new ATOM 0 HA ILE A 100 17.919 -3.964 2.354 1.00 0.00 H new ATOM 0 HB ILE A 100 17.952 -4.806 5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.024 -3.287 4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 100 16.806 -2.894 5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.581 -2.976 5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.165 -4.227 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.527 -2.691 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.543 -0.899 4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.267 -1.273 4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.473 -1.672 3.151 1.00 0.00 H new ATOM 1586 N GLU A 101 20.027 -5.470 2.623 1.00 0.00 N ATOM 1587 CA GLU A 101 21.084 -6.453 2.412 1.00 0.00 C ATOM 1588 C GLU A 101 20.904 -7.652 3.338 1.00 0.00 C ATOM 1589 O GLU A 101 20.884 -8.798 2.890 1.00 0.00 O ATOM 1590 CB GLU A 101 22.456 -5.816 2.645 1.00 0.00 C ATOM 1591 CG GLU A 101 22.891 -4.882 1.529 1.00 0.00 C ATOM 1592 CD GLU A 101 24.393 -4.679 1.489 1.00 0.00 C ATOM 1593 OE1 GLU A 101 25.116 -5.654 1.199 1.00 0.00 O ATOM 1594 OE2 GLU A 101 24.845 -3.544 1.749 1.00 0.00 O ATOM 0 H GLU A 101 20.321 -4.501 2.501 1.00 0.00 H new ATOM 0 HA GLU A 101 21.023 -6.800 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.435 -5.262 3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.199 -6.605 2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.557 -5.285 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 101 22.401 -3.917 1.657 1.00 0.00 H new ATOM 1601 N ASN A 102 20.774 -7.379 4.633 1.00 0.00 N ATOM 1602 CA ASN A 102 20.597 -8.435 5.623 1.00 0.00 C ATOM 1603 C ASN A 102 19.347 -8.190 6.462 1.00 0.00 C ATOM 1604 O ASN A 102 18.722 -9.129 6.952 1.00 0.00 O ATOM 1605 CB ASN A 102 21.826 -8.523 6.530 1.00 0.00 C ATOM 1606 CG ASN A 102 23.098 -8.809 5.756 1.00 0.00 C ATOM 1607 OD1 ASN A 102 23.069 -8.990 4.538 1.00 0.00 O ATOM 1608 ND2 ASN A 102 24.222 -8.851 6.460 1.00 0.00 N ATOM 0 H ASN A 102 20.788 -6.436 5.021 1.00 0.00 H new ATOM 0 HA ASN A 102 20.477 -9.380 5.093 1.00 0.00 H new ATOM 0 HB2 ASN A 102 21.939 -7.586 7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.671 -9.307 7.271 1.00 0.00 H new ATOM 0 HD21 ASN A 102 25.109 -9.039 5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 102 24.199 -8.695 7.468 1.00 0.00 H new ATOM 1615 N MET A 103 18.989 -6.920 6.624 1.00 0.00 N ATOM 1616 CA MET A 103 17.813 -6.551 7.402 1.00 0.00 C ATOM 1617 C MET A 103 16.557 -6.583 6.538 1.00 0.00 C ATOM 1618 O MET A 103 16.635 -6.564 5.309 1.00 0.00 O ATOM 1619 CB MET A 103 17.993 -5.158 8.009 1.00 0.00 C ATOM 1620 CG MET A 103 18.948 -5.128 9.191 1.00 0.00 C ATOM 1621 SD MET A 103 18.319 -6.038 10.615 1.00 0.00 S ATOM 1622 CE MET A 103 16.964 -4.981 11.120 1.00 0.00 C ATOM 0 H MET A 103 19.497 -6.130 6.227 1.00 0.00 H new ATOM 0 HA MET A 103 17.698 -7.278 8.206 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.360 -4.480 7.239 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.021 -4.782 8.328 1.00 0.00 H new ATOM 0 HG2 MET A 103 19.907 -5.550 8.889 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.132 -4.093 9.478 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.552 -5.342 12.062 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.327 -3.961 11.250 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.187 -4.995 10.356 1.00 0.00 H new ATOM 1632 N LYS A 104 15.398 -6.633 7.187 1.00 0.00 N ATOM 1633 CA LYS A 104 14.124 -6.668 6.479 1.00 0.00 C ATOM 1634 C LYS A 104 12.995 -6.149 7.364 1.00 0.00 C ATOM 1635 O LYS A 104 12.849 -6.572 8.510 1.00 0.00 O ATOM 1636 CB LYS A 104 13.812 -8.093 6.018 1.00 0.00 C ATOM 1637 CG LYS A 104 12.418 -8.252 5.435 1.00 0.00 C ATOM 1638 CD LYS A 104 11.407 -8.634 6.503 1.00 0.00 C ATOM 1639 CE LYS A 104 10.285 -9.486 5.929 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.673 -10.920 5.830 1.00 0.00 N ATOM 0 H LYS A 104 15.315 -6.650 8.203 1.00 0.00 H new ATOM 0 HA LYS A 104 14.204 -6.020 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.546 -8.393 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.923 -8.772 6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.113 -7.319 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.433 -9.015 4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.909 -9.181 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.989 -7.732 6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.400 -9.392 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.015 -9.114 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.882 -11.467 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.503 -11.013 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.906 -11.283 6.776 1.00 0.00 H new ATOM 1654 N ASP A 105 12.200 -5.233 6.823 1.00 0.00 N ATOM 1655 CA ASP A 105 11.082 -4.658 7.563 1.00 0.00 C ATOM 1656 C ASP A 105 9.761 -4.931 6.851 1.00 0.00 C ATOM 1657 O ASP A 105 9.741 -5.305 5.678 1.00 0.00 O ATOM 1658 CB ASP A 105 11.279 -3.152 7.739 1.00 0.00 C ATOM 1659 CG ASP A 105 12.065 -2.813 8.991 1.00 0.00 C ATOM 1660 OD1 ASP A 105 12.822 -3.682 9.470 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.922 -1.677 9.490 1.00 0.00 O ATOM 0 H ASP A 105 12.308 -4.872 5.875 1.00 0.00 H new ATOM 0 HA ASP A 105 11.049 -5.129 8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.798 -2.752 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.305 -2.664 7.781 1.00 0.00 H new ATOM 1666 N THR A 106 8.658 -4.744 7.568 1.00 0.00 N ATOM 1667 CA THR A 106 7.333 -4.972 7.006 1.00 0.00 C ATOM 1668 C THR A 106 6.342 -3.919 7.489 1.00 0.00 C ATOM 1669 O THR A 106 6.577 -3.245 8.492 1.00 0.00 O ATOM 1670 CB THR A 106 6.799 -6.369 7.374 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.942 -6.593 8.781 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.542 -7.452 6.605 1.00 0.00 C ATOM 0 H THR A 106 8.656 -4.435 8.540 1.00 0.00 H new ATOM 0 HA THR A 106 7.434 -4.903 5.923 1.00 0.00 H new ATOM 0 HB THR A 106 5.744 -6.413 7.105 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.599 -7.483 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.148 -8.430 6.881 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.407 -7.296 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.604 -7.407 6.848 1.00 0.00 H new ATOM 1680 N ALA A 107 5.233 -3.783 6.770 1.00 0.00 N ATOM 1681 CA ALA A 107 4.205 -2.813 7.127 1.00 0.00 C ATOM 1682 C ALA A 107 2.898 -3.104 6.397 1.00 0.00 C ATOM 1683 O ALA A 107 2.894 -3.722 5.332 1.00 0.00 O ATOM 1684 CB ALA A 107 4.681 -1.401 6.819 1.00 0.00 C ATOM 0 H ALA A 107 5.023 -4.332 5.937 1.00 0.00 H new ATOM 0 HA ALA A 107 4.019 -2.896 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.903 -0.687 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.584 -1.189 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.897 -1.314 5.754 1.00 0.00 H new ATOM 1690 N THR A 108 1.789 -2.656 6.977 1.00 0.00 N ATOM 1691 CA THR A 108 0.475 -2.869 6.382 1.00 0.00 C ATOM 1692 C THR A 108 -0.252 -1.547 6.166 1.00 0.00 C ATOM 1693 O THR A 108 -0.171 -0.641 6.996 1.00 0.00 O ATOM 1694 CB THR A 108 -0.397 -3.785 7.261 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.267 -5.035 7.477 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.751 -4.030 6.611 1.00 0.00 C ATOM 0 H THR A 108 1.774 -2.143 7.859 1.00 0.00 H new ATOM 0 HA THR A 108 0.638 -3.351 5.418 1.00 0.00 H new ATOM 0 HB THR A 108 -0.555 -3.288 8.218 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.294 -5.611 8.038 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.349 -4.679 7.250 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.267 -3.079 6.475 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.608 -4.507 5.641 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.962 -1.444 5.048 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.706 -0.233 4.724 1.00 0.00 C ATOM 1706 C ILE A 109 -3.127 -0.562 4.282 1.00 0.00 C ATOM 1707 O ILE A 109 -3.352 -1.521 3.543 1.00 0.00 O ATOM 1708 CB ILE A 109 -1.009 0.576 3.615 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.426 0.913 4.024 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.792 1.845 3.313 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.325 1.252 2.855 1.00 0.00 C ATOM 0 H ILE A 109 -1.038 -2.185 4.351 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.741 0.368 5.633 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.975 -0.031 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.410 1.756 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.850 0.066 4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.287 2.406 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.797 1.582 2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.854 2.457 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.326 1.480 3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.372 0.402 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.925 2.118 2.328 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.084 0.240 4.737 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.484 0.035 4.388 1.00 0.00 C ATOM 1725 C ARG A 110 -5.993 1.164 3.495 1.00 0.00 C ATOM 1726 O ARG A 110 -5.879 2.340 3.841 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.340 -0.055 5.653 1.00 0.00 C ATOM 1728 CG ARG A 110 -5.985 -1.232 6.545 1.00 0.00 C ATOM 1729 CD ARG A 110 -6.432 -0.998 7.980 1.00 0.00 C ATOM 1730 NE ARG A 110 -6.154 -2.149 8.835 1.00 0.00 N ATOM 1731 CZ ARG A 110 -6.925 -3.230 8.886 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -8.015 -3.307 8.135 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -6.605 -4.237 9.689 1.00 0.00 N ATOM 0 H ARG A 110 -3.915 1.038 5.349 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.561 -0.903 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.230 0.868 6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.389 -0.130 5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.455 -2.137 6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.908 -1.397 6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.925 -0.119 8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.501 -0.784 7.996 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.323 -2.122 9.425 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.263 -2.535 7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.605 -4.138 8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.767 -4.181 10.268 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.197 -5.067 9.728 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.553 0.797 2.348 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.080 1.778 1.407 1.00 0.00 C ATOM 1749 C ILE A 111 -8.566 1.552 1.151 1.00 0.00 C ATOM 1750 O ILE A 111 -8.989 0.440 0.832 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.326 1.732 0.065 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.834 1.990 0.284 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -6.909 2.749 -0.905 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -3.982 1.677 -0.927 1.00 0.00 C ATOM 0 H ILE A 111 -6.654 -0.172 2.047 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.938 2.759 1.861 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.443 0.738 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.691 3.035 0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.489 1.389 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.366 2.705 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.961 2.523 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.819 3.749 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.936 1.883 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.095 0.625 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.300 2.297 -1.766 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.353 2.614 1.291 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.792 2.531 1.074 1.00 0.00 C ATOM 1768 C ARG A 112 -11.218 3.418 -0.093 1.00 0.00 C ATOM 1769 O ARG A 112 -10.849 4.590 -0.163 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.545 2.942 2.341 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.055 2.964 2.172 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.767 2.842 3.510 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.217 2.771 3.354 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.060 2.630 4.371 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.599 2.547 5.611 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.367 2.574 4.148 1.00 0.00 N ATOM 0 H ARG A 112 -9.018 3.541 1.554 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.038 1.497 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.288 2.253 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.208 3.932 2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.354 3.891 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.361 2.146 1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.414 1.950 4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.511 3.697 4.136 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.604 2.833 2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.595 2.591 5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.248 2.439 6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.725 2.639 3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.014 2.466 4.929 1.00 0.00 H new ATOM 1790 N VAL A 113 -11.996 2.849 -1.009 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.472 3.587 -2.173 1.00 0.00 C ATOM 1792 C VAL A 113 -13.992 3.700 -2.167 1.00 0.00 C ATOM 1793 O VAL A 113 -14.700 2.695 -2.103 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.023 2.917 -3.485 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.722 3.553 -4.676 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.511 3.001 -3.636 1.00 0.00 C ATOM 0 H VAL A 113 -12.310 1.879 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.036 4.584 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.304 1.864 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.392 3.067 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.800 3.435 -4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.475 4.614 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.211 2.523 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.204 4.047 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.033 2.494 -2.798 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.489 4.932 -2.235 1.00 0.00 N ATOM 1807 CA VAL A 114 -15.926 5.177 -2.240 1.00 0.00 C ATOM 1808 C VAL A 114 -16.381 5.753 -3.576 1.00 0.00 C ATOM 1809 O VAL A 114 -15.791 6.706 -4.085 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.334 6.143 -1.111 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -16.011 5.543 0.248 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.645 7.488 -1.287 1.00 0.00 C ATOM 0 H VAL A 114 -13.917 5.775 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.412 4.215 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.411 6.302 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.306 6.240 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.555 4.606 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.940 5.352 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.944 8.158 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.564 7.349 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.932 7.921 -2.245 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.434 5.169 -4.139 1.00 0.00 N ATOM 1823 CA GLU A 115 -17.967 5.625 -5.417 1.00 0.00 C ATOM 1824 C GLU A 115 -18.634 6.990 -5.272 1.00 0.00 C ATOM 1825 O GLU A 115 -19.554 7.163 -4.473 1.00 0.00 O ATOM 1826 CB GLU A 115 -18.972 4.610 -5.966 1.00 0.00 C ATOM 1827 CG GLU A 115 -20.102 4.289 -5.003 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.647 2.887 -5.189 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.311 2.640 -6.218 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -20.411 2.036 -4.306 1.00 0.00 O ATOM 0 H GLU A 115 -17.934 4.380 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.136 5.718 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.395 4.996 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.446 3.689 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.745 4.403 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.908 5.009 -5.142 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.162 7.957 -6.051 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.711 9.307 -6.012 1.00 0.00 C ATOM 1839 C LYS A 116 -20.219 9.289 -6.243 1.00 0.00 C ATOM 1840 O LYS A 116 -20.692 8.811 -7.273 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.034 10.186 -7.067 1.00 0.00 C ATOM 1842 CG LYS A 116 -18.216 11.674 -6.827 1.00 0.00 C ATOM 1843 CD LYS A 116 -19.545 12.169 -7.375 1.00 0.00 C ATOM 1844 CE LYS A 116 -19.413 12.641 -8.814 1.00 0.00 C ATOM 1845 NZ LYS A 116 -20.741 12.804 -9.468 1.00 0.00 N ATOM 0 H LYS A 116 -17.400 7.831 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.518 9.722 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -16.968 9.958 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -18.434 9.933 -8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.163 11.880 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.400 12.222 -7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -20.283 11.369 -7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.914 12.986 -6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.878 13.590 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.816 11.924 -9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.608 13.127 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.242 11.893 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.302 13.507 -8.945 1.00 0.00 H new ATOM 1859 N ALA A 117 -20.967 9.812 -5.277 1.00 0.00 N ATOM 1860 CA ALA A 117 -22.420 9.859 -5.377 1.00 0.00 C ATOM 1861 C ALA A 117 -23.026 10.634 -4.212 1.00 0.00 C ATOM 1862 O ALA A 117 -22.311 11.105 -3.328 1.00 0.00 O ATOM 1863 CB ALA A 117 -22.991 8.449 -5.429 1.00 0.00 C ATOM 0 H ALA A 117 -20.590 10.209 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 117 -22.679 10.379 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -24.077 8.499 -5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -22.591 7.926 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -22.714 7.911 -4.523 1.00 0.00 H new ATOM 1869 N GLY A 118 -24.349 10.763 -4.217 1.00 0.00 N ATOM 1870 CA GLY A 118 -25.028 11.484 -3.156 1.00 0.00 C ATOM 1871 C GLY A 118 -26.062 10.632 -2.447 1.00 0.00 C ATOM 1872 O GLY A 118 -26.285 10.785 -1.246 1.00 0.00 O ATOM 0 H GLY A 118 -24.963 10.381 -4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -24.293 11.836 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -25.513 12.367 -3.573 1.00 0.00 H new TER 1876 GLY A 118